SCHEMBL9539437

SCHEMBL9539437

CCOc1cc2cc(C=O)sc2cc1OCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.47
LMNA P02545 1/20 0.44
ALDH1A1 P00352 5/20 0.38
STING1 Q86WV6 1/20 0.38
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
PDE4D Q08499 2/20 0.35
TACR2 P21452 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7032634 0.81 CYP2A6 (0.51) CYP2A6ALDH1A1STING1TSHRKDM4E
SCHEMBL25279289 0.80 CYP2A6 (0.42) CYP2A6STING1
SCHEMBL9540983 0.80 MAPK1 (0.43) LMNAALDH1A1STING1CYP3A4TSHR
SCHEMBL9540978 0.80 MAPK1 (0.43) LMNAALDH1A1STING1CYP3A4TSHR
SCHEMBL9538549 0.79 KDM4E (0.46) LMNAALDH1A1STING1CYP3A4TSHR
SCHEMBL9538543 0.79 KDM4E (0.46) LMNAALDH1A1STING1CYP3A4TSHR
SCHEMBL12683402 0.75 CYP2A6 (0.61) CYP2A6
SCHEMBL10271885 0.75 KDM4E (0.39) LMNAALDH1A1STING1CYP3A4TSHR
SCHEMBL8378668 0.74 STING1 (0.44) STING1CYP3A4TSHRL3MBTL1
SCHEMBL8177908 0.72 PDE4B (0.46) LMNAALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases ASTRAZENECA AB (SE) 2008-09-18 US disclosed
WO-1993005033-A1 BENZO[b]THIOPHENE DERIVATES, PROCESS FOR PRODUCING THE SAME AND MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1993-03-18 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 (2 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-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases PDE4A, PDE4B, PDE5A CYP2A6 187/4885LMNA 4229/4885ALDH1A1 809/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A CYP2A6 298/4885LMNA 2838/4885ALDH1A1 295/4885

“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.