SCHEMBL3017301

SCHEMBL3017301

COc1cc(Br)cc(C=CC(=O)O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.57
ATM Q13315 1/20 0.57
KDM4E B2RXH2 6/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
PKM P14618 2/20 0.54
PTGS2 P35354 2/20 0.54
HTR1A P08908 1/20 0.54
HTR2C P28335 1/20 0.54
PTGS1 P23219 1/20 0.54
BACE1 P56817 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP1A1 P04798 3/20 0.47
CYP1B1 Q16678 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47

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
SCHEMBL3017298 1.00 THRB (0.57) THRBATMKDM4EGAAALDH1A1
SCHEMBL2744652 0.88 F3 (0.56) ALDH1A1BACE1CYP1A1CYP1B1CYP1A2
SCHEMBL2744655 0.88 F3 (0.56) ALDH1A1BACE1CYP1A1CYP1B1CYP1A2
SCHEMBL290941 0.88 THRB (0.67) THRBATMKDM4EGAAALDH1A1
SCHEMBL290940 0.88 THRB (0.67) THRBATMKDM4EGAAALDH1A1
SCHEMBL10900974 0.86 THRB (0.65) THRBATMKDM4EGAAALDH1A1
SCHEMBL10900978 0.86 THRB (0.65) THRBATMKDM4EGAAALDH1A1
Hydrochloric Acid SCHEMBL2592367 0.86 THRB (0.65) THRBATMKDM4EGAAALDH1A1
SCHEMBL29937522 0.85 BACE1 (0.54) KDM4EGAAALDH1A1BACE1SMN1; SMN2
SCHEMBL21835129 0.85 BACE1 (0.54) KDM4EGAAALDH1A1BACE1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 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-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases HSD17B1, HSD17B11, HSD17B2 THRB 1164/4885ATM 4081/4885KDM4E 2373/4885

“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.