SCHEMBL66212

SCHEMBL66212

C=CC(C)(C)c1[nH]cnc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
RAF1 P04049 1/20 0.35
CYP1A2 P05177 1/20 0.35
CDK1 P06493 1/20 0.35
CYP2C9 P11712 1/20 0.35
CCNB1 P14635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.33
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32
TUBA1A Q71U36 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13299420 0.85 KDM4E (0.52) KDM4EATMRAF1CYP1A2CDK1
SCHEMBL67583 0.83 RAF1 (0.46) KDM4EATMRAF1CYP1A2CDK1
SCHEMBL13291350 0.79 KDM4E (0.45) KDM4EATMRAF1CYP1A2CDK1
SCHEMBL66213 0.74 HPGD (0.38) KDM4EATMCYP1A2CYP2C9CYP2C19
SCHEMBL13299416 0.71 KDM4E (0.39) KDM4EATM
SCHEMBL80769 0.71 RAF1 (0.43) KDM4EATMRAF1CYP1A2CDK1
SCHEMBL5972022 0.70 CYP1A2 (0.80) KDM4EATMRAF1CYP1A2CDK1
SCHEMBL5972025 0.70 CYP1A2 (0.80) KDM4EATMRAF1CYP1A2CDK1
SCHEMBL22275113 0.68 KDM4E (0.57) KDM4EATMRAF1CYP1A2CDK1
SCHEMBL28791608 0.67

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101633655-B Dehydrophenylahistine and analogs thereof and synthesis of dehydrophenylahistine and analogs thereof DALIAN WANCHUN PHARMACEUTICAL CO LTD 2014-04-30 CN disclosed
US-8618292-B2 Analogs of dehydrophenylahistins and their therapeutic use BEYONDSPRING PHARMACEUTICALS, INC. (US) 2013-12-31 US disclosed
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-8247552-B2 Analogs of dehydrophenylahistins and their therapeutic use NEREUS PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8129527-B2 cancer and non-cancer diseases associated with vascular proliferation; mitoxantrone resistant, taxol resistant cancers NEREUS PHARMACUTICALS, INC. (US) 2012-03-06 US disclosed
CN-1934101-B Dehydrophenylahistine and analogs thereof and synthesis of dehydrophenylahistine and analogs thereof NEREUS PHARMACEUTICALS INC 2011-10-12 CN disclosed
US-20110245260-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-7956058-B2 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. (US) 2011-06-07 US disclosed
US-7935704-B2 antiproliferative, antitumor agent; fungicide; inhibit eukaryotic cell cycle progression in M phase; rheumatoid arthritis, chronic articular rheumatism, psoriasis, diabetic retinopathy, neovascular glaucoma, retinopathy of prematurity, macular degeneration, corneal graft rejection, osteoporosis NEREUS PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-7919497-B2 Analogs of dehydrophenylahistins and their therapeutic use NEREUS PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-20060223822-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof BEYONDSPRING PHARMACEUTICALS, INC. 2006-10-05 US disclosed
US-20060223823-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. 2006-10-05 US disclosed
US-20060217553-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. 2006-09-28 US disclosed
US-7064201-B2 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. (US) 2006-06-20 US disclosed
CN-1684955-A Dehydrophenylahistine and analogs thereof and synthesis of dehydrophenylahistine and analogs thereof NEREUS PHARMACEUTICALS INC (US) 2005-10-19 CN disclosed
US-20050197344-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof BEYONDSPRING PHARMACEUTICALS, INC. 2005-09-08 US disclosed
WO-2005077940-A1 DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF AND THE SYNTHESIS OF DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF NEREUS PHARMACEUTICALS, INC. (US) 2005-08-25 WO disclosed
EP-1529044-A2 DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF AND THE SYNTHESIS OF DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF Nereus Pharmaceuticals, Inc. (US) 2005-05-11 EP disclosed
US-20050090667-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof BEYONDSPRING PHARMACEUTICALS, INC. 2005-04-28 US disclosed
WO-2004054498-A2 DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF AND THE SYNTHESIS OF DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF NEREUS PHARMACEUTICALS, INC. (US) 2004-07-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060223822-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR KDM4E 812/4885ATM 3170/4885RAF1 2336/4885
US-20060223823-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR KDM4E 812/4885ATM 3170/4885RAF1 2336/4885
US-20060217553-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR KDM4E 812/4885ATM 3170/4885RAF1 2336/4885
US-20110245260-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE MKI67, HPGDS, HCCS KDM4E 2660/4885ATM 2485/4885RAF1 1116/4885
US-20050090667-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR KDM4E 812/4885ATM 3170/4885RAF1 2336/4885
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE MKI67, HPGDS, HCCS KDM4E 2660/4885ATM 2485/4885RAF1 1116/4885
US-20050197344-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof DHFR, DHPS, QDPR KDM4E 613/4885ATM 3637/4885RAF1 2807/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.