SCHEMBL5652739

SCHEMBL5652739

Cc1[nH]c2[c]cccc2c1C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.47
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
POLB P06746 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
SCHEMBL16669006 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL974237 0.71 ALDH1A1 (0.41) MAPTL3MBTL1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5030 0.68 ALDH1A1 (0.54) AHRKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL28756926 0.67 ALDH1A1 (0.52) AHRKDM4ESMN1; SMN2ALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL29143440 0.67 ALDH1A1 (0.52) AHRKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL28379563 0.67 ALDH1A1 (0.52) AHRKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL5497510 0.67 ATM (0.47)
SCHEMBL28458247 0.67 ALDH1A1 (0.52) AHRKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL2074995 0.67 AHR (0.47) AHRMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL135237 0.65 CYP1A2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN claimed
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN disclosed
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 US disclosed
CN-101018552-A Intracellular receptor modulator compounds and methods LIGAND PHARM INC (US) 2007-08-15 CN 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 (1 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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 AHR 1370/4885MAPT 3411/4885NPC1 1314/4885

“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.