SCHEMBL5702016

SCHEMBL5702016

COc1ccc(C=O)c(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
HDAC8 Q9BY41 2/20 0.46
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
TUBB1 Q9H4B7 1/20 0.45
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
PPARG P37231 2/20 0.43
ALOX5 P09917 1/20 0.43
PSEN1 P49768 1/20 0.43
PTPN1 P18031 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40
P2RX1 P51575 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
ERN1 O75460 1/20 0.39

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
SCHEMBL23673330 0.81 ERN1 (0.49) MAPTPOLBTUBB1CYP1A1CYP1B1
SCHEMBL95509 0.80 ALDH1A1 (0.58) ALDH1A1MAPTPOLBHDAC8TRIM24
SCHEMBL1311076 0.80 HDAC8 (0.65) ALDH1A1MAPTPOLBHDAC8TRIM24
SCHEMBL23673331 0.80 ALDH1A1 (0.53) ALDH1A1MAPTPOLBPPARGALOX5
SCHEMBL29227198 0.80 PSEN1 (0.53) MAPTTUBB1PPARGALOX5PSEN1
SCHEMBL30873519 0.80 PSEN1 (0.53) MAPTTUBB1PPARGALOX5PSEN1
SCHEMBL21370452 0.78 NPC1 (0.61) ALDH1A1MAPTPOLBHDAC8TRIM24
SCHEMBL18003435 0.78 MAPT (0.48) ALDH1A1MAPTPOLBPPARGALOX5
SCHEMBL5627926 0.77 PSEN1 (0.48) ALDH1A1MAPTPOLBTUBB1PPARG
SCHEMBL23673332 0.77 POLB (0.47) MAPTPOLBTUBB1CYP1A1CYP1B1

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 8 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
EP-1302460-A1 Indolecarboxylic compounds and their use as pharmaceutical compounds L'OREAL (FR) 2003-04-16 EP 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
EP-0964852-A1 INDOLECARBOXYLIC COMPOUNDS AND THEIR USE AS PHARMACEUTICAL COMPOUNDS L'OREAL (FR) 1999-12-22 EP disclosed
WO-1999012905-A1 INDOLECARBOXYLIC COMPOUNDS AND THEIR USE AS PHARMACEUTICAL COMPOUNDS L'OREAL (FR) 1999-03-18 WO 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 ALDH1A1 298/4885MAPT 3736/4885POLB 1803/4885

“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.