SCHEMBL7797344

SCHEMBL7797344

CCc1ccccc1Cc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2C19 P33261 2/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ADRA1D P25100 1/20 0.40

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
SCHEMBL30505689 0.89 CYP2C9 (0.50) CYP2C9POLBKMT2AMEN1CYP2C19
SCHEMBL27795329 0.80 CYP2C9 (0.44) CYP2C9POLBKMT2AMEN1CYP2C19
SCHEMBL8398705 0.80 POLB (0.54) CYP2C9POLBMAPTALDH1A1KMT2A
SCHEMBL15274411 0.80 CYP2C9 (0.47) CYP2C9POLBKMT2ACYP2C19CYP1A2
SCHEMBL10385967 0.80 CYP2C9 (0.44) CYP2C9POLBKMT2ACYP2C19CYP1A2
SCHEMBL10385684 0.79 CYP1A2 (0.45) CYP2C9POLBMAPTALDH1A1CYP2C19
SCHEMBL28226695 0.77 TAAR1 (0.62) CYP2C9TAAR1LMNATSHRSMN1; SMN2
SCHEMBL13692320 0.77 CYP2C9 (0.53) CYP2C9POLBALDH1A1KMT2AMEN1
SCHEMBL646103 0.76 ABL1 (0.47) CYP2C9MAPTALDH1A1TAAR1LMNA
SCHEMBL9024874 0.76 HPGD (0.54) CYP2C9KMT2ATAAR1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 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 (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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM CYP2C9 3608/4885POLB 4499/4885MAPT 3906/4885

“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.