SCHEMBL3149248

SCHEMBL3149248

CCSCc1ccccc1CCl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2C9 P11712 3/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 3/20 0.35
KMT2A Q03164 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
NFKB1 P19838 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
SCHEMBL3069772 0.89 CYP1A2 (0.44) CYP1A2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL5145604 0.86 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL16943934 0.82 GABRA1 (0.41) CYP1A2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL4753818 0.78 CYP1A2 (0.60) CYP1A2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL3150559 0.77 ALDH1A1 (0.38) CYP1A2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL20734748 0.77 ALOX5AP (0.43) CYP1A2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL8821218 0.76 ALDH1A1 (0.47) ALDH1A1TSHRKMT2ASMN1; SMN2MAPT
SCHEMBL150237 0.75 TSHR (0.50) CYP1A2ALDH1A1TSHRKMT2AMAPK1
SCHEMBL29350459 0.75 TSHR (0.50) CYP1A2ALDH1A1TSHRKMT2AMAPK1
SCHEMBL7992841 0.74 POLB (0.41) CYP1A2CYP2C19CYP2C9CYP3A4CYP2D6

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
EP-2154123-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2013-10-23 EP disclosed
US-7851659-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-14 US disclosed
US-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
EP-2154123-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-17 EP 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-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, NQO2, NDUFC2 CYP1A2 130/4885CYP2C19 322/4885CYP2C9 538/4885

“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.