SCHEMBL902747

SCHEMBL902747

C=CC[N+](CC=C)CC=C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL11575086 0.78
SCHEMBL1062632 0.78
SCHEMBL9495145 0.73 TSHR (0.37) TSHR
SCHEMBL1688001 0.70
SCHEMBL1460960 0.67
SCHEMBL8903116 0.67
SCHEMBL1533512 0.67
SCHEMBL4790574 0.67
SCHEMBL2879089 0.67
SCHEMBL1416300 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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015003146-A1 BORONIC ACID DERIVATIVES OF RESVERATROL FOR ACTIVATING DEACETYLASE ENZYMES GEORGETOWN UNIVERSITY (US) 2015-01-08 WO claimed
EP-1644328-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS Aston University (GB) 2006-04-12 EP claimed
WO-2005005387-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS ASTON UNIVERSITY (GB) 2005-01-20 WO claimed
US-6831199-B1 In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 G. D. SEARLE & CO. 2004-12-14 US claimed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US claimed
US-20040127477-A1 Heterocyclic glycyl beta-alanine derivatives G. D. SEARLE & CO. (US) 2004-07-01 US claimed
US-20040116486-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-17 US claimed
US-20040110809-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-10 US claimed
US-6689754-B1 PIPERIDINE OR PYRIDINE DERIVATIVES; ALPHA V BETA 3 INTEGRIN ANTAGONISTS G. D. SEARLE & CO. 2004-02-10 US claimed
EP-1370538-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP claimed
WO-2002074749-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO claimed
WO-2002074752-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO claimed
JP-2001506611-A 2001-05-22 JP claimed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US claimed
EP-0942902-A2 NOVEL IMMUNOTHERAPEUTIC IMIDES/AMIDES CELGENE CORPORATION (US) 1999-09-22 EP claimed
WO-1998024763-A2 IMMUNOTHERAPEUTIC IMIDES/AMIDES AS PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1998-06-11 WO claimed
US-5703098-A INHIBITORS OF CYTOKINES INCLUDING TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-12-30 US claimed
EP-0246126-A1 Benzimidazoles and imidazopyridine sulfone amides, process for their preparation and their use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1987-11-19 EP claimed
EP-0080814-B1 CHROMOGENIC COMPOUNDS YAMAMOTO KAGAKU GOSEI CO., LTD. (JP) 1986-10-15 EP claimed
EP-0080814-A1 Chromogenic compounds YAMAMOTO KAGAKU GOSEI CO., LTD. (JP) 1983-06-08 EP claimed

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

For each of this compound's patents that has machine-readable text (3 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-20040110809-A1 Metalloproteinase inhibitors MMP9, MMP2, MMP3 TSHR 3771/4885ALDH1A1 294/4885
US-20040127477-A1 Heterocyclic glycyl beta-alanine derivatives ITGB3, ITGAL, ITGB1 TSHR 3161/4885ALDH1A1 388/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 TSHR 2971/4885ALDH1A1 1250/4885

“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.