SCHEMBL2587955

SCHEMBL2587955

Cc1cc(O)ccc1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.53
RXRB P28702 2/20 0.53
CAMK2A Q9UQM7 5/20 0.51
RXRG P48443 1/20 0.51
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
PMP22 Q01453 1/20 0.49
SRC P12931 1/20 0.47
CA2 P00918 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
AKR1B1 P15121 2/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
GRB2 P62993 1/20 0.46

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
SCHEMBL4943843 0.85 RXRA (0.63) RXRARXRBCAMK2ARXRGNPSR1
SCHEMBL28346847 0.84 HSD17B1 (0.47) RXRARXRBRXRGNPSR1ALDH1A1
SCHEMBL1257788 0.82 SRC (0.62) RXRARXRBRXRGNPSR1ALDH1A1
SCHEMBL29419312 0.81 TYR (0.60) CAMK2ANPSR1ALDH1A1LMNAGLA
SCHEMBL156238 0.81 TYR (0.60) CAMK2ANPSR1ALDH1A1LMNAGLA
SCHEMBL7102470 0.81 NPSR1 (0.66) RXRARXRBRXRGNPSR1ALDH1A1
SCHEMBL2283410 0.80 RXRA (0.53) RXRARXRBCAMK2ARXRGNPSR1
Hydrochloric Acid SCHEMBL2530248 0.80 SRC (0.61) RXRARXRBRXRGNPSR1ALDH1A1
SCHEMBL12988424 0.79 AIMP2 (0.40) RXRARXRBNPSR1CA2
SCHEMBL3922071 0.79 EGFR (0.52) ALDH1A1GLAHPGDCA2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4515970-A Process for preparation of alkanoic acids SOCIETE FRANCAISE HOECHST (FR) 1985-05-07 US claimed
EP-3125880-B1 COMBINATION OF ADAPALENE AND BENZOYL PEROXIDE FOR PREVENTING ACNE SCARS GALDERMA RES & DEV (FR) 2019-11-20 EP disclosed
EP-2563357-B1 ADAPALENE 0.3% FOR USE IN A METHOD FOR TREATING SCARS GALDERMA RES & DEV (FR) 2018-10-17 EP disclosed
US-20180214401-A1 METHOD FOR TREATING SCARS WITH ADAPALENE 0.3% GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-08-02 US disclosed
EP-3125880-A1 COMBINATION OF ADAPALENE AND BENZOYL PEROXIDE FOR TREATING ACNE SCARS Galderma Research & Development (FR) 2017-02-08 EP disclosed
US-20170020833-A1 METHOD FOR TREATING AND/OR PREVENTING ACNE SCARS WITH A FIXED COMBINATION OF ADAPALENE OR ITS SALTS AND BENZOYL PEROXIDE GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-01-26 US disclosed
WO-2015150332-A1 COMBINATION OF ADAPALENE AND BENZOYL PEROXIDE FOR TREATING ACNE SCARS GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-10-08 WO disclosed
EP-2563357-A1 METHOD FOR TREATING SCARS WITH ADAPALENE 0.3% Galderma Research & Development (FR) 2013-03-06 EP disclosed
CN-102746214-A Novel indoline compounds FOURNIER LAB SA 2012-10-24 CN disclosed
WO-2011135090-A1 METHOD FOR TREATING SCARS WITH ADAPALENE 0.3% GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-11-03 WO disclosed
US-20050075390-A1 HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 2005-04-07 US disclosed
US-6852711-B2 Novel dihydropyrones with tethered heterocycles having improved pharmacologic properties which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The dihydropyrones are useful in the development of therapies for AGOURON PHARMACEUTICALS, INC. (US) 2005-02-08 US disclosed
US-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 US disclosed
US-6528510-B1 Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; WARNER-LAMBERT COMPANY 2003-03-04 US disclosed
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO disclosed
EP-0805802-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE-POULENC RORER LIMITED (GB) 1997-11-12 EP disclosed
WO-1996022978-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LIMITED (GB) 1996-08-01 WO disclosed
US-4515970-A Process for preparation of alkanoic acids SOCIETE FRANCAISE HOECHST (FR) 1985-05-07 US disclosed
EP-0062440-A1 Process for preparing phenylalkanoic acids and derivatives of benzoxazole therefrom ELI LILLY AND COMPANY (US) 1982-10-13 EP 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 (2 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-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD RXRA 4543/4885RXRB 4453/4885CAMK2A 3711/4885
US-20050075390-A1 HIV protease inhibitors DNPEP, PREP, PEPD RXRA 4477/4885RXRB 4412/4885CAMK2A 3719/4885

“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.