SCHEMBL4987141

SCHEMBL4987141

C=CCc1ccccc1-c1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.56
GABRB2 P47870 3/20 0.56
AKR1B1 P15121 1/20 0.55
HSD17B1 P14061 7/20 0.42
HSD17B2 P37059 7/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPT P10636 1/20 0.42
GABRB1 P18505 1/20 0.42
RXRA P19793 1/20 0.42
CNR1 P21554 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
CNR2 P34972 1/20 0.42
GABRA2 P47869 1/20 0.42
KMT2A Q03164 1/20 0.42

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
Phenol SCHEMBL27952434 0.86 GABRA1 (0.55) GABRA1GABRB2AKR1B1CYP3A4CYP2C9
SCHEMBL28617501 0.85 AKR1B1 (0.55) GABRA1GABRB2AKR1B1HSD17B1HSD17B2
SCHEMBL6537109 0.84 GABRA1 (0.59) GABRA1GABRB2AKR1B1CYP3A4CYP2C9
SCHEMBL9801818 0.81 PIK3CA (0.46) GABRA1GABRB2AKR1B1HSD17B1HSD17B2
SCHEMBL27677647 0.81 GABRA1 (0.56) GABRA1GABRB2AKR1B1CYP3A4CYP2C9
Phenol SCHEMBL28941280 0.80 GABRA1 (0.60) GABRA1GABRB2AKR1B1CYP3A4CYP2C9
SCHEMBL170787 0.80 DPP4 (0.54) GABRA1GABRB2AKR1B1KMT2AAURKA
SCHEMBL9801814 0.80 CYP19A1 (0.42) GABRA1GABRB2AKR1B1HSD17B1HSD17B2
SCHEMBL28267634 0.79 GABRA1 (0.48) GABRA1GABRB2AKR1B1GAAKMT2A
Biphenyl SCHEMBL7928631 0.78 DPP4 (0.52) GABRA1GABRB2AKR1B1KMT2AAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 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-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives TPH1, HTR1D, HTR1B GABRA1 1636/4885GABRB2 2261/4885AKR1B1 317/4885

“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.