SCHEMBL6686932

SCHEMBL6686932

CCCC(CCl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.43
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
HRH1 P35367 6/20 0.38
HTR2A P28223 5/20 0.38
SIGMAR1 Q99720 1/20 0.37
TSHR P16473 1/20 0.37
TAAR1 Q96RJ0 2/20 0.35
RIPK1 Q13546 1/20 0.35
CCR5 P51681 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 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
SCHEMBL11481732 0.88 POLB (0.42) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL1263573 0.86 AOC3 (0.48) AOC3LMNAESR1ESR2HRH1
SCHEMBL27538786 0.86 SIGMAR1 (0.42) HTR2ASIGMAR1OPRM1OPRD1OPRK1
SCHEMBL9276354 0.84 AOC3 (0.47) AOC3LMNAESR1ESR2HRH1
SCHEMBL233438 0.82 LMNA (0.48) AOC3LMNAESR1ESR2HRH1
SCHEMBL2237751 0.82 LMNA (0.48) AOC3LMNAESR1ESR2HRH1
SCHEMBL5598365 0.81 TSHR (0.48) LMNAHRH1HTR2ATSHRTAAR1
SCHEMBL22956046 0.81 ESR1 (0.43) LMNAESR1ESR2TSHR
Ammonia Solution, Strong SCHEMBL28248687 0.80 LMNA (0.46) AOC3LMNAESR1ESR2HRH1
Hydrogen Peroxide SCHEMBL11212534 0.80 LMNA (0.52) AOC3LMNAESR1ESR2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122450-A1 SYNTHESIS OF A SUBSTITUTED FURAN AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-05-05 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 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-20160122450-A1 SYNTHESIS OF A SUBSTITUTED FURAN DCXR, PFAS, FUT6 AOC3 536/4885LMNA 3661/4885ESR1 3788/4885

“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.