SCHEMBL5701966

SCHEMBL5701966

CC(C)Cc1ccc([N+](C)(c2ccc(CC(C)C)cc2)c2ccccc2C(=O)c2cn(CCCC(=O)O)c3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 6/20 0.60
SRD5A2 P31213 6/20 0.60
CNR1 P21554 7/20 0.45
CNR2 P34972 6/20 0.45
CREBBP Q92793 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
SCHEMBL8792553 0.89 SRD5A1 (0.72) SRD5A1SRD5A2CNR1CNR2CREBBP
SCHEMBL9335630 0.86 SRD5A1 (0.58) SRD5A1SRD5A2CNR1CNR2CREBBP
SCHEMBL3405579 0.85 SRD5A1 (0.69) SRD5A1SRD5A2CNR1CNR2CREBBP
Hydrochloric Acid SCHEMBL8793984 0.84 SRD5A1 (0.68) SRD5A1SRD5A2CNR1CNR2CREBBP
SCHEMBL8793528 0.82 SRD5A1 (0.65) SRD5A1SRD5A2CNR1CNR2CREBBP
SCHEMBL5701972 0.80 SRD5A1 (0.74) SRD5A1SRD5A2CNR1CNR2CREBBP
SCHEMBL8792796 0.79 SRD5A1 (0.80) SRD5A1SRD5A2CNR1CNR2CREBBP
SCHEMBL8792776 0.79 SRD5A1 (0.61) SRD5A1SRD5A2CNR1CNR2CREBBP
SCHEMBL9604317 0.78 SRD5A1 (0.59) SRD5A1SRD5A2CNR1CNR2CREBBP
SCHEMBL27314275 0.78 SRD5A1 (0.74) SRD5A1SRD5A2CNR1CNR2CREBBP

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 5 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 disclosed
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
EP-0964852-B1 INDOLECARBOXYLIC COMPOUNDS AND THEIR USE AS PHARMACEUTICAL COMPOUNDS OREAL (FR) 2003-03-12 EP 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 SRD5A1 2/4885SRD5A2 3/4885CNR1 501/4885

“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.