SCHEMBL172339

SCHEMBL172339

CCC(C)NC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
SHBG P04278 1/20 0.42
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
EPHX2 P34913 2/20 0.39
ADRB2 P07550 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL172729 1.00 EPHX1 (0.50) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL16937601 1.00 EPHX1 (0.50) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL16937617 0.98 EPHX1 (0.53) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL1149128 0.98 EPHX1 (0.53) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL14605831 0.98 EPHX1 (0.53) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL17821888 0.98 EPHX1 (0.48) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL7775285 0.98 EPHX1 (0.53) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL172679 0.98 EPHX1 (0.53) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL17041918 0.95 EPHX1 (0.47) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL17821880 0.95 EPHX1 (0.52) EPHX1SHBGGAAL3MBTL1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4107198-B1 POLYISOCYANATE PREPARATIONS COVESTRO DEUTSCHLAND AG (DE) 2024-03-13 EP disclosed
EP-3560975-B2 IONICALLY HYDROPHILIZED POLYISOCYANATES AND ANTIOXIDANTS COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-12-06 EP disclosed
EP-3724251-B2 IONICALLY HYDROPHILIZED POLYISOCYANATES, WATER CONTENT COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-11-22 EP disclosed
EP-3851472-B1 IONICALLY HYDROPHILIZED POLYISOCYANATES, WATER CONTENT COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-06-07 EP disclosed
EP-4107198-A1 POLYISOCYANATE PREPARATIONS Covestro Deutschland AG (DE) 2022-12-28 EP disclosed
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed
US-8168627-B2 Helix 12 directed non-steroidal antiandrogens ENDORECHERCHE, INC. (CA) 2012-05-01 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-20100227855-A1 HELIX 12 DIRECTED NON-STEROIDAL ANTIANDROGENS ENDORECHERCHE, INC. (CA) 2010-09-09 US disclosed
US-7709516-B2 Helix 12 directed non-steroidal antiandrogens ENDORECHERCHE, INC. (CA) 2010-05-04 US disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP 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-20100227855-A1 HELIX 12 DIRECTED NON-STEROIDAL ANTIANDROGENS AR, SHBG, CYP17A1 EPHX1 3344/4885SHBG 2/4885GAA 3336/4885

“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.