SCHEMBL80323

SCHEMBL80323

C=Cc1nc[nH]c1C(C)(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.42
CYP1A2 P05177 1/20 0.42
CDK1 P06493 1/20 0.42
CYP2C9 P11712 1/20 0.42
CCNB1 P14635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37

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
SCHEMBL80769 0.79 RAF1 (0.43) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL81397 0.77 CYP2C9 (0.39) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL3337526 0.64 ALDH1A1 (0.54) ALDH1A1ESR1CYP3A4ESR2KDM4E
SCHEMBL10600438 0.64 ALDH1A1 (0.38) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL2105637 0.63 CYP3A4 (0.41) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL19703442 0.63
SCHEMBL35881 0.62 ESR1 (0.70) ALDH1A1ESR1CYP3A4ESR2TAAR1
SCHEMBL14910456 0.62 ESR1 (0.70) ALDH1A1ESR1CYP3A4ESR2TAAR1
Tert-Butylbenzene SCHEMBL27890768 0.61 HDAC6 (0.45) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL4789180 0.61 ALDH1A1 (0.41) ALDH1A1ESR1CYP3A4ESR2KDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2012-11-01 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
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
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-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-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-7919497-B2 Analogs of dehydrophenylahistins and their therapeutic use NEREUS PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-7674903-B2 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. (US) 2010-03-09 US disclosed
US-7674903-B2 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. (US) 2010-03-09 US disclosed
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE BEYONDSPRING PHARMACEUTICALS, INC. 2008-09-11 US disclosed
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE BEYONDSPRING PHARMACEUTICALS, INC. 2008-09-11 US disclosed
US-20070078138-A1 Analogs of dehydrophenylahistins and their therapeutic use BEYONDSPRING PHARMACEUTICALS, INC. 2007-04-05 US disclosed
US-20070078138-A1 Analogs of dehydrophenylahistins and their therapeutic use BEYONDSPRING PHARMACEUTICALS, INC. 2007-04-05 US 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 (4 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-20110245260-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE MKI67, HPGDS, HCCS RAF1 1116/4885CYP1A2 2042/4885CDK1 477/4885
US-20070078138-A1 Analogs of dehydrophenylahistins and their therapeutic use MKI67, HPGDS, HCCS RAF1 1116/4885CYP1A2 2042/4885CDK1 477/4885
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE HPGDS, DHPS, HCCS RAF1 1660/4885CYP1A2 1594/4885CDK1 761/4885
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE MKI67, HPGDS, HCCS RAF1 1116/4885CYP1A2 2042/4885CDK1 477/4885

“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.