SCHEMBL942728

SCHEMBL942728

CC(C)c1ccc(-c2cccc(C(=O)O)c2O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.67
GPR35 Q9HC97 2/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
DHODH Q02127 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
L3MBTL1 Q9Y468 2/20 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
SCHEMBL4741406 0.85 DHODH (0.56) HNF4AGPR35PRKAB2PRKAG1PRKAA2
Hydrochloric Acid SCHEMBL5937171 0.83 DHODH (0.55) HNF4AGPR35PRKAB2PRKAG1PRKAA2
SCHEMBL10986987 0.81 HNF4A (0.73) HNF4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9786926 0.81 HNF4A (0.92) HNF4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29662951 0.81 HNF4A (1.00) HNF4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL73041 0.81 HNF4A (1.00) HNF4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5964729 0.79 HNF4A (0.96) HNF4AALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL27574420 0.79 HNF4A (0.96) HNF4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL410536 0.79 HNF4A (0.96) HNF4AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28302531 0.79 HNF4A (0.96) HNF4AALDH1A1KDM4EHPGDHSD17B10

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
US-20110014141-A1 TOPICAL AGENT FOR DERMATOLOGICAL USE DSM IP ASSETS B.V. (NL) 2011-01-20 US disclosed
EP-1859835-A2 Topical agent for dermatological use containing 4-hydroxyphenyl-alpha-D-glucopyranoside PENTAPHARM Ltd. (CH) 2007-11-28 EP disclosed
US-20030198610-A1 Topical agent for dermatological use DSM IP ASSETS B.V. (NL) 2003-10-23 US disclosed
EP-1289489-A2 TOPICAL AGENT FOR DERMATOLOGICAL USE CONTAINING 4-HYDROXYPHENYL-ALPHA-D-GLUCOPYRANOSIDE PENTAPHARM Ltd. (CH) 2003-03-12 EP disclosed
WO-2001091715-A2 TOPICAL AGENT FOR DERMATOLOGICAL USE CONTAINING 4-HYDROXYPHENYL-ALPHA-D-GLUCOPYRANOSIDE PENTAPHARM LTD. (CH) 2001-12-06 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 (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-20110014141-A1 TOPICAL AGENT FOR DERMATOLOGICAL USE GALE, ALPP, UGGT1 HNF4A 2362/4885GPR35 1865/4885ALDH1A1 351/4885
US-20030198610-A1 Topical agent for dermatological use GALE, UGGT1, UGDH HNF4A 2055/4885GPR35 1958/4885ALDH1A1 423/4885

“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.