SCHEMBL443913

SCHEMBL443913

CCCCCc1cccc(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.58
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
RARA P10276 1/20 0.57
MAPT P10636 1/20 0.57
MTOR P42345 1/20 0.57
KMT2A Q03164 1/20 0.57
PPARA Q07869 3/20 0.56
PPARG P37231 2/20 0.56
FOLH1 Q04609 1/20 0.56
LPL P06858 1/20 0.54
LIPG Q9Y5X9 1/20 0.54
KAT8 Q9H7Z6 2/20 0.54

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
SCHEMBL289254 0.98 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL11442846 0.98 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL1876486 0.98 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL27414335 0.98 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL15766204 0.98 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL15174619 0.98 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9812591 0.97 RARB (0.58) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL31124111 0.95 FOLH1 (0.58) RARBPPARAPPARGFOLH1
SCHEMBL3387825 0.95 FOLH1 (0.58) RARBPPARAPPARGFOLH1
Phenol SCHEMBL28902755 0.92 RARB (0.51) RARBPPARAPPARGKAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-8664423-B2 Process for the preparation of acylated secondary alcohol alkoxylates and secondary alcohol alkoxylates SHELL OIL COMPANY (US) 2014-03-04 US disclosed
US-20120196883-A1 SELECTIVE CALCIUM CHANNEL ANTAGONISTS NORTHWESTERN UNIVERSITY 2012-08-02 US disclosed
EP-2181763-B1 Catalyst and process for alkoxylation SHELL INT RESEARCH (NL) 2012-06-20 EP disclosed
US-20120065310-A1 COMPOSITION, COATED FILM FORMED OF THE COMPOSITION, LAYERED PRODUCT CONTAINING THE COATED FILM, AND ELECTRONIC DEVICE INCORPORATING THE LAYERED PRODUCT ADACHI HIROAKI (JP) 2012-03-15 US disclosed
US-20110237817-A1 PROCESS FOR THE PREPARATION OF ACYLATED SECONDARY ALCOHOL ALKOXYLATES AND SECONDARY ALCOHOL ALKOXYLATES SHELL OIL COMPANY 2011-09-29 US disclosed
EP-2349974-A1 PROCESS FOR THE PREPARATION OF ACYLATED SECONDARY ALCOHOL ALKOXYLATES AND SECONDARY ALCOHOL ALKOXYLATES Shell Internationale Research Maatschappij B.V. (NL) 2011-08-03 EP disclosed
US-20100167022-A1 COMPOSITION, COATED FILM FORMED OF THE COMPOSITION, LAYERED PRODUCT CONTAINING THE COATED FILM, AND ELECTRONIC DEVICE INCORPORATING THE LAYERED PRODUCT ASAHI KASEI KABUSHIKI KAISHA (JP) 2010-07-01 US disclosed
WO-2010049465-A1 PROCESS FOR THE PREPARATION OF ACYLATED SECONDARY ALCOHOL ALKOXYLATES AND SECONDARY ALCOHOL ALKOXYLATES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2010-05-06 WO disclosed
EP-2181763-A1 Catalyst and process for alkoxylation Shell Internationale Research Maatschappij B.V. (NL) 2010-05-05 EP disclosed
EP-2129665-A1 QUINAZOLINONE DERIVATIVES AS ALDH-2 INHIBITORS CV Therapeutics Inc. (US) 2009-12-09 EP disclosed
WO-2008124532-A1 QUINAZOLINONE DERIVATIVES AS ALDH-2 INHIBITORS CV THERAPEUTICS, INC. (US) 2008-10-16 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 (3 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-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 RARB 975/4885MEN1 2199/4885ALDH1A1 4654/4885
US-20110237817-A1 PROCESS FOR THE PREPARATION OF ACYLATED SECONDARY ALCOHOL ALKOXYLATES AND SECONDARY ALCOHOL ALKOXYLATES ADH1A, ADH1C, ADH5 RARB 1733/4885MEN1 3923/4885ALDH1A1 47/4885
US-20120196883-A1 SELECTIVE CALCIUM CHANNEL ANTAGONISTS CACNA1C, CACNA1B, CACNA1G RARB 4776/4885MEN1 3263/4885ALDH1A1 3916/4885

“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.