SCHEMBL7775285

SCHEMBL7775285

CCC(C)NC1CCCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.53
SHBG P04278 1/20 0.46
GAA P10253 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
EPHX2 P34913 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.36
ADRB2 P07550 1/20 0.36
KMT2A Q03164 2/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL14605831 1.00 EPHX1 (0.53) EPHX1SHBGGAACYP2C9CYP2C19
SCHEMBL16937617 1.00 EPHX1 (0.53) EPHX1SHBGGAACYP2C9CYP2C19
SCHEMBL172679 1.00 EPHX1 (0.53) EPHX1SHBGGAACYP2C9CYP2C19
SCHEMBL1149128 1.00 EPHX1 (0.53) EPHX1SHBGGAACYP2C9CYP2C19
SCHEMBL17821880 0.98 EPHX1 (0.52) EPHX1SHBGGAACYP2C9CYP2C19
SCHEMBL172729 0.98 EPHX1 (0.50) EPHX1SHBGGAACYP2C9CYP2C19
SCHEMBL172339 0.98 EPHX1 (0.50) EPHX1SHBGGAACYP2C9CYP2C19
SCHEMBL16937601 0.98 EPHX1 (0.50) EPHX1SHBGGAACYP2C9CYP2C19
SCHEMBL17822090 0.96 EPHX1 (0.50) EPHX1SHBGGAACYP2C9CYP2C19
SCHEMBL17046219 0.96 EPHX1 (0.50) EPHX1SHBGGAACYP2C9CYP2C19

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 9 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-20170044100-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS UNIV JOHNS HOPKINS (US) 2017-02-16 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-20170044100-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS IDO2, IDO1, INMT EPHX1 2812/4885SHBG 4627/4885GAA 2079/4885

“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.