SCHEMBL3914331

SCHEMBL3914331

CCCCCCCCOc1ccc(C=O)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.51
THRA P10827 1/20 0.51
NR5A1 Q13285 1/20 0.46
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
PLA2G4B P0C869 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3843485 1.00 THRB (0.51) THRBTHRANR5A1TSHRTP53
SCHEMBL1626220 0.84 TDP1 (0.48)
SCHEMBL28544034 0.84 THRB (0.38) THRBTHRAPLA2G4B
SCHEMBL30087260 0.84 ALDH1A1 (0.56) THRBTHRAL3MBTL1
SCHEMBL8749655 0.83 MAOB (0.52) THRBTHRANR5A1TSHRTP53
SCHEMBL317833 0.83 MAOB (0.52) THRBTHRANR5A1TSHRTP53
SCHEMBL6319246 0.82 ERN1 (0.54) TSHRTP53
SCHEMBL4943412 0.82 NR5A1 (0.46) NR5A1TSHRTP53PLA2G4B
SCHEMBL7763936 0.82 NR5A1 (0.58) NR5A1TSHRTP53PLA2G4BL3MBTL1
SCHEMBL4942064 0.82 NR5A1 (0.46) NR5A1TSHRTP53PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3504251-B1 NETWORK POLYMERS AND METHODS OF MAKING AND USING SAME UNIV COLORADO REGENTS (US) 2026-03-25 EP disclosed
US-12187851-B2 Network polymers and methods of making and using same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2025-01-07 US disclosed
US-20230119934-A1 NETWORK POLYMERS AND METHODS OF MAKING AND USING SAME UNIV COLORADO REGENTS (US) 2023-04-20 US disclosed
US-11535713-B2 Network polymers and methods of making and using same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2022-12-27 US disclosed
US-20210292482-A1 NETWORK POLYMERS AND METHODS OF MAKING AND USING SAME THE REGENTS OF THE UNIV OF COLORADO A BODY CORPORTATE (US) 2021-09-23 US disclosed
EP-3504251-A1 NETWORK POLYMERS AND METHODS OF MAKING AND USING SAME The Regents of the University of Colorado, a Body Corporate (US) 2019-07-03 EP disclosed
WO-2018039331-A1 NETWORK POLYMERS AND METHODS OF MAKING AND USING SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-03-01 WO disclosed
US-7479504-B2 Edg receptor agonists MERCK & CO., INC. (US) 2009-01-20 US disclosed
US-7351725-B2 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists MERCK & CO., INC. (US) 2008-04-01 US disclosed
US-7351725-B2 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists MERCK & CO., INC. (US) 2008-04-01 US disclosed
EP-1470137-A4 EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2005-06-15 EP disclosed
US-20050070506-A1 Selective s1p1/edg1 receptor agonists DOHERTY GEORGE A (US) 2005-03-31 US disclosed
US-20050033055-A1 Edg receptor agonists MERCK SHARP & DOHME CORP. 2005-02-10 US disclosed
EP-1470137-A1 EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-10-27 EP disclosed
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists DOHERTY GEORGE A (US) 2004-03-25 US disclosed
WO-2003062252-A1 EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 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-20050070506-A1 Selective s1p1/edg1 receptor agonists S1PR1, S1PR3, S1PR5 THRB 1562/4885THRA 1209/4885NR5A1 265/4885
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists S1PR1, S1PR3, S1PR2 THRB 1271/4885THRA 1032/4885NR5A1 275/4885
US-20050033055-A1 Edg receptor agonists EDNRA, EDNRB, GPR65 THRB 408/4885THRA 344/4885NR5A1 54/4885

“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.