SCHEMBL13054558

SCHEMBL13054558

COc1ccc2c(c1)CC(C=O)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
MTNR1A P48039 3/20 0.46
ABCB1 P08183 1/20 0.45
AR P10275 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
CYP19A1 P11511 4/20 0.43
MAOB P27338 4/20 0.43
CYP3A4 P08684 1/20 0.43
GLS O94925 2/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL10506849 0.85 DRD2 (0.43) GABRA1GABRB2HRH3MTNR1AABCB1
SCHEMBL10256487 0.78 HRH3 (0.59) GABRA1GABRB2HRH3MTNR1AABCB1
SCHEMBL7435365 0.77 MTNR1A (0.50) MTNR1ACYP19A1MAOBCYP3A4NPC1
SCHEMBL7445863 0.77 MTNR1A (0.44) MTNR1ACYP19A1MAOBCYP3A4NPC1
SCHEMBL13799417 0.77 HRH3 (0.54) GABRA1GABRB2HRH3MTNR1AABCB1
SCHEMBL31258122 0.76 MTNR1A (0.56) GABRA1GABRB2MTNR1ACYP19A1MAPT
SCHEMBL29443014 0.76 GLS (0.56) GABRA1GABRB2HRH3MTNR1AABCB1
SCHEMBL4455342 0.76 GLS (0.56) GABRA1GABRB2HRH3MTNR1AABCB1
SCHEMBL31258111 0.76 MTNR1A (0.56) GABRA1GABRB2MTNR1ACYP19A1MAPT
SCHEMBL10257134 0.76 HRH3 (0.60) GABRA1GABRB2HRH3MTNR1AGLS

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-8283340-B2 Treatment or prophylaxis of proliferative conditions The University of the University of Dundee (GB) 2012-10-09 US disclosed
US-20100305070-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2010-12-02 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-20100305070-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS BRCA1, CYP1B1, UGT1A1 GABRA1 2605/4885GABRB2 1203/4885HRH3 2973/4885

“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.