SCHEMBL3836133

SCHEMBL3836133

CCC(O)(C(=O)O)c1ccc(C)c(O)c1C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
AR P10275 2/20 0.31
BLM P54132 1/20 0.30

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
SCHEMBL3504696 0.74 HPGD (0.38) KDM4EALDH1A1HPGD
SCHEMBL3741710 0.70 SSTR4 (0.39) KDM4EALDH1A1HPGD
SCHEMBL3838214 0.70 ESR1 (0.45) ALDH1A1ESR1ESR2AR
SCHEMBL7463280 0.70 FFAR1 (0.38)
SCHEMBL8823997 0.69 ESR1 (0.40) KDM4EALDH1A1HPGDESR1ESR2
SCHEMBL580699 0.68 GABRA1 (0.56) KDM4EALDH1A1HSD17B10GABRA1GABRB2
SCHEMBL29644929 0.68 GABRA1 (0.56) KDM4EALDH1A1HSD17B10GABRA1GABRB2
SCHEMBL29376862 0.68 GABRA1 (0.45) KDM4EALDH1A1HPGDHSD17B10ESR1
SCHEMBL920467 0.68 GABRA1 (0.45) KDM4EALDH1A1HPGDHSD17B10ESR1
SCHEMBL11836435 0.67 ATM (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8505730-B2 Compositions, kits and regimens for the treatment of skin, especially décolletage JR CHEM, LLC (US) 2013-08-13 US disclosed
US-20120312717-A1 COMPOSITIONS, KITS AND REGIMENS FOR THE TREATMENT OF SKIN, ESPECIALLY DECOLLETAGE JR CHEM, LLC (US) 2012-12-13 US disclosed
US-8273791-B2 Compositions, kits and regimens for the treatment of skin, especially décolletage JR CHEM, LLC (US) 2012-09-25 US disclosed
EP-2087880-A2 Compositions, kits and regimens for the treatment of skin, especially décolletage Jr Chem, LLC (US) 2009-08-12 EP disclosed
US-20090176876-A1 COMPOSITIONS, KITS AND REGIMENS FOR THE TREATMENT OF SKIN, ESPECIALLY DECOLLETAGE JR CHEM, LLC (US) 2009-07-09 US disclosed
US-6960347-B2 Composition based on N-cholesteryloxycarbonyl-4-para-aminophenol and hydroquinone or one of its derivatives L'OREAL (FR) 2005-11-01 US disclosed
US-20010036446-A1 Composition based on N-cholesteryloxycarbonyl-4-para-aminophenol and hydroquinone or one of its derivatives L'OREAL (FR) 2001-11-01 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-20090176876-A1 COMPOSITIONS, KITS AND REGIMENS FOR THE TREATMENT OF SKIN, ESPECIALLY DECOLLETAGE RARG, RARA, RXRG KDM4E 3387/4885ALDH1A1 368/4885HPGD 92/4885

“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.