SCHEMBL1879173

SCHEMBL1879173

CC(C)Cc1[nH]cnc1C=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL739 0.77 CYP2C19 (0.32) ADORA2AADORA2BCYP2C19HSD17B10
SCHEMBL11534114 0.72 HRH4 (0.35) ADORA2AADORA2BHSD17B10
SCHEMBL12414779 0.72 HPGD (0.31) ADORA2AADORA2B
SCHEMBL8158055 0.72 ADORA2B (0.35) ADORA2AADORA2BCYP2C19HSD17B10
SCHEMBL23393724 0.69 HRH2 (0.33) HSD17B10
SCHEMBL17979607 0.69 CYP1A2 (0.62) CYP2C19
SCHEMBL24773287 0.68 CHEK1 (0.38)
SCHEMBL632905 0.67
SCHEMBL1509437 0.65
SCHEMBL67583 0.64 RAF1 (0.46) CYP2C19

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 15 patents. 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-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-7674903-B2 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. (US) 2010-03-09 US disclosed
EP-1529044-B1 DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF AND THE SYNTHESIS OF DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF NEREUS PHARMACEUTICALS INC (US) 2007-10-03 EP disclosed
EP-1711487-A1 DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF AND THE SYNTHESIS OF DEHYDROPHENYLAHISTINS AND ANALOGS THEREOF Nereus Pharmaceuticals, Inc. (US) 2006-10-18 EP 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
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 (5 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 TSHR 2742/4885ADORA2A 1698/4885ADORA2B 1654/4885
US-20060223823-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR TSHR 2742/4885ADORA2A 1698/4885ADORA2B 1654/4885
US-20060217553-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR TSHR 2742/4885ADORA2A 1698/4885ADORA2B 1654/4885
US-20050090667-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof TPD52L2, DHPS, DCXR TSHR 2742/4885ADORA2A 1698/4885ADORA2B 1654/4885
US-20050197344-A1 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof DHFR, DHPS, QDPR TSHR 1768/4885ADORA2A 1089/4885ADORA2B 781/4885

“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.