SCHEMBL4894065

SCHEMBL4894065

CCCCCCC(Cl)CCC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
DNM1 Q05193 2/20 0.43
OPRM1 P35372 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GPR84 Q9NQS5 3/20 0.39
FDPS P14324 3/20 0.39
SPHK1 Q9NYA1 1/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL27917257 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL3156871 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
Heptane SCHEMBL17076906 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
Heptane SCHEMBL17076924 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
Heptane SCHEMBL17076872 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL15189290 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL6065522 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
Phosphine SCHEMBL19411938 0.97 LMNA (0.42) TSHRTHRBLMNADNM1OPRM1
Ammonia Solution, Strong SCHEMBL7229632 0.97 LMNA (0.42) TSHRTHRBLMNADNM1OPRM1
SCHEMBL3602893 0.97 OPRM1 (0.43) TSHRTHRBLMNADNM1OPRM1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822707-B2 Nucleophile assisting leaving groups FLORIDA ATLANTIC UNIVERSITY (US) 2014-09-02 US disclosed
US-20080221347-A1 Oligoether, crown ether linked to an acyclic or cyclic group linked with a sulfonate or silanol leaving group to an alkyl group, an alkenyl group, an alkynyl group or an optionally substituted aromatic or heteroaryl group; stabilized leaving group is more easily displaced NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-11 US disclosed
WO-2006060142-A2 NUCLEOPHILE ASSISTING LEAVING GROUPS FLORIDA ATLANTIC UNIVERSITY (US) 2006-06-08 WO disclosed
US-6809206-B2 CONTACTING A PHENYL ESTER COMPOUND WITH A CYCLIC COMPOUND IN THE PRESENCE OF A SOURCE OF CYANIDE OR FLUORIDE TO PREPARE ACYLATED CYCLIC 1,3-DICARBONYL COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY 2004-10-26 US disclosed
WO-2003040083-A1 ENANTIOSELECTIVE HYDROXYLATION OF BETA-DICARBONYLS CATALYZED BY CINCHONA ALKALOID DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-05-15 WO disclosed
EP-0652876-A1 HERBICIDAL TRIAZINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-05-17 EP disclosed
WO-1994003454-A1 HERBICIDAL TRIAZINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-02-17 WO disclosed
EP-0336587-B1 FLUOROALKOXY AMINO TRIAZINES FOR CONTROL OF WEEDS IN SUGAR BEETS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-11 EP disclosed
EP-0523067-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-20 EP disclosed
US-5090993-A Herbicides, plant growth regulators E. I. DU PONT DE NEMOURS & COMPANY (US) 1992-02-25 US disclosed
EP-0404758-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-02 EP disclosed
US-4878937-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-11-07 US disclosed
EP-0336587-A1 Fluoroalkoxy amino triazines for control of weeds in sugar beets E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-11 EP disclosed
WO-1989009214-A1 FLUOROALKOXY AMINO TRIAZINES FOR CONTROL OF WEEDS IN SUGAR BEETS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-05 WO disclosed
EP-0404758-A4 HERBICIDAL SULFONAMIDES. DU PONT (US) 1989-08-30 EP disclosed
US-4854962-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-08 US disclosed
US-4752322-A Herbicidal sulfonamides DUMAS DONALD J (US) 1988-06-21 US disclosed
US-4746356-A Herbicidal sulfonamides E. I. DUPONT DE NEMOURS AND COMPANY (US) 1988-05-24 US disclosed
WO-1987007114-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-12-03 WO disclosed
US-4017529-A Herbicidal allophanimidates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 US 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-20080221347-A1 Oligoether, crown ether linked to an acyclic or cyclic group linked with a sulfonate or silanol leaving group to an alkyl group, an alkenyl group, an alkynyl group or an optionally substituted aromatic or heteroaryl group; stabilized leaving group is more easily displaced OSTC, STS, TST TSHR 722/4885THRB 1401/4885LMNA 1807/4885

“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.