SCHEMBL14499485

SCHEMBL14499485

COc1ccc(-c2ccc(C(C)=O)cc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
HSD17B1 P14061 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44

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
SCHEMBL22220072 0.88 CYP1A2 (0.56) FFAR1HSD17B1MAPTALDH1A1CYP1A2
SCHEMBL21953482 0.86 PDE4A (0.47) FFAR1MAPTALDH1A1KDM4ECYP1A2
SCHEMBL5851380 0.86 CA12 (0.58) FFAR1ALDH1A1TSHRLMNACA12
SCHEMBL195793 0.85 ALDH1A1 (0.56) MAPTALDH1A1KMT2AMEN1CYP1A2
SCHEMBL31003218 0.85 ALDH1A1 (0.56) MAPTALDH1A1KMT2AMEN1CYP1A2
SCHEMBL14499515 0.85 PDE4A (0.59) FFAR1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL14499505 0.85 ERN1 (0.54) FFAR1MAPTALDH1A1KMT2AMEN1
SCHEMBL12376968 0.83 KMT2A (0.50) MAPTALDH1A1KMT2AKDM4ECYP1A2
SCHEMBL14700587 0.83 CFD (0.53) FFAR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL9149352 0.81 LMNA (0.60) FFAR1HSD17B1MAPTSMN1; SMN2ALDH1A1

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-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 FFAR1 264/4885HSD17B1 2432/4885MAPT 4514/4885

“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.