SCHEMBL4948490

SCHEMBL4948490

CCCCOP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
CETP P11597 3/20 0.58
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7917113 1.00 CYP3A4 (0.59) CYP3A4CETPTSHRALDH1A1MAPK1
SCHEMBL4948716 0.93 CETP (0.63) CYP3A4CETPTSHR
SCHEMBL4948692 0.93 CETP (0.63) CYP3A4CETPTSHR
SCHEMBL4948131 0.93 CETP (0.63) CYP3A4CETPTSHR
SCHEMBL4946336 0.93 CETP (0.63) CYP3A4CETPTSHR
SCHEMBL27937449 0.91 CETP (0.56) CYP3A4CETPTSHRALDH1A1MAPK1
SCHEMBL3345889 0.89 MEN1 (0.55) CYP3A4CETPTSHRALDH1A1MAPK1
SCHEMBL7903242 0.89 MEN1 (0.55) CYP3A4CETPTSHRALDH1A1MAPK1
SCHEMBL2365443 0.89 TSHR (0.57) CYP3A4CETPTSHR
SCHEMBL25015293 0.89 CETP (0.48) CYP3A4CETPTSHRALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110922437-B Glucose compound, pharmaceutical composition and application thereof 凯惠科技发展(上海)有限公司 2023-11-03 CN disclosed
WO-2012081978-A1 PROTEIN AFFINITY TAG AND USES THEREOF DE STAAT DER NEDERLANDEN, VERT. DOOR DE MINISTER VAN VWS (NL) 2012-06-21 WO disclosed
EP-1918287-A2 LPA receptor agonists and antagonists and methods of use THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2008-05-07 EP disclosed
EP-1263752-B1 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE UNIV TENNESSEE RES CORP (US) 2007-12-05 EP disclosed
EP-1427424-A4 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE UNIV TENNESSEE RES CORP (US) 2006-12-13 EP disclosed
US-20050261252-A1 LPA receptor agonists and antagonists and methods of use MILLER DUANE D 2005-11-24 US disclosed
US-6875757-B2 For therapy of cancer, enhancing cell proliferation, and wound UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-04-05 US disclosed
EP-1427424-A2 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2004-06-16 EP disclosed
EP-1263752-A4 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE UNIV TENNESSEE RES CORP (US) 2003-07-30 EP disclosed
US-20030130237-A1 LPA receptor agonists and antagonists and methods of use MILLER DUANE D (US) 2003-07-10 US disclosed
WO-2003024402-A2 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2003-03-27 WO disclosed
US-20030027800-A1 LPA receptor agonists and antagonists and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-02-06 US disclosed
EP-1263752-A2 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2002-12-11 EP disclosed
WO-2001071022-A2 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2001-09-27 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-20050261252-A1 LPA receptor agonists and antagonists and methods of use LPAR1, LPAR2, LPAR3 CYP3A4 4615/4885CETP 1160/4885TSHR 718/4885
US-20030027800-A1 LPA receptor agonists and antagonists and methods of use LPAR1, LPAR2, LPAR3 CYP3A4 4615/4885CETP 1160/4885TSHR 718/4885
US-20030130237-A1 LPA receptor agonists and antagonists and methods of use LPAR1, LPAR2, LPAR5 CYP3A4 4471/4885CETP 939/4885TSHR 993/4885

“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.