SCHEMBL5701889

SCHEMBL5701889

COc1ccc(COc2cc3cc(C(=O)O)[nH]c3cc2OC)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.82
SRD5A1 P18405 2/20 0.82
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
FLT3 P36888 2/20 0.53
RXFP1 Q9HBX9 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
CTSV O60911 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
SCHEMBL3243291 0.90 SRD5A2 (1.00) SRD5A2SRD5A1KDM4EALDH1A1CYP1A2
SCHEMBL7169748 0.90 SRD5A2 (1.00) SRD5A2SRD5A1KDM4EALDH1A1CYP1A2
SCHEMBL7193910 0.86 SRD5A1 (0.62) SRD5A2SRD5A1KDM4EALDH1A1HPGD
SCHEMBL5701857 0.86 SRD5A2 (0.76) SRD5A2SRD5A1KDM4EALDH1A1CYP1A2
SCHEMBL5702163 0.84 SRD5A2 (0.76) SRD5A2SRD5A1KDM4EALDH1A1CYP1A2
SCHEMBL5702136 0.84 SRD5A1 (0.58) SRD5A2SRD5A1KDM4EALDH1A1HPGD
SCHEMBL7174812 0.83 SRD5A2 (0.88) SRD5A2SRD5A1KDM4EALDH1A1CYP1A2
SCHEMBL335983 0.82 SRD5A1 (0.70) SRD5A2SRD5A1KDM4EALDH1A1HPGD
SCHEMBL5829229 0.81 SRD5A2 (0.82) SRD5A2SRD5A1KDM4EALDH1A1CYP1A2
SCHEMBL7159304 0.81 SRD5A2 (0.82) SRD5A2SRD5A1KDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1302460-B1 Indolecarboxylic compounds and their use as pharmaceutical compounds OREAL (FR) 2006-08-02 EP claimed
US-6596753-B2 Effective amount of at least one compound of the indolecarboxylic family, this compound or these compositions being intended to treat disorders associated with overactivity of 5 alpha -reductase. These compositions treat androgen SOCIETE L'OREAL S.A. (FR) 2003-07-22 US claimed
US-20030050325-A1 Novel compounds of the indolecarboxylic family and use thereof BERNARD BRUNO (FR) 2003-03-13 US claimed
US-6596753-B2 Effective amount of at least one compound of the indolecarboxylic family, this compound or these compositions being intended to treat disorders associated with overactivity of 5 alpha -reductase. These compositions treat androgen SOCIETE L'OREAL S.A. (FR) 2003-07-22 US disclosed
US-20030050325-A1 Novel compounds of the indolecarboxylic family and use thereof BERNARD BRUNO (FR) 2003-03-13 US disclosed
US-6448285-B1 DISORDERS ASSOCIATED WITH OVERACTIVITY OF 5 ALPHA REDUCTASE; ANDROGEN DEPENDENT DISORDERS SUCH AS SEBORRHOEA, ACNE, HIRSUTISM AND/OR ANDROGENIC ALOPECIA SOCIETE L'OREAL S.A. (FR) 2002-09-10 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-20030050325-A1 Novel compounds of the indolecarboxylic family and use thereof CYP17A1, SRD5A1, SRD5A2 SRD5A2 3/4885SRD5A1 2/4885KDM4E 1203/4885

“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.