SCHEMBL6487259

SCHEMBL6487259

OC(CCl)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
ACP3 P15309 2/20 0.44
PTGS2 P35354 1/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP1A2 P05177 1/20 0.41
MMP3 P08254 1/20 0.41
BCL2L1 Q07817 1/20 0.41
AOC3 Q16853 3/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL932391 0.86 LMNA (0.58) LMNAKDM4EL3MBTL1AOC3
SCHEMBL316028 0.86 LMNA (0.58) LMNAKDM4EL3MBTL1AOC3
SCHEMBL219295 0.86 LMNA (0.58) LMNAKDM4EL3MBTL1AOC3
SCHEMBL9236573 0.80 LMNA (0.49) LMNACHRNB2CHRNA4ACP3PTGS2
SCHEMBL2869400 0.78 CHRNB2 (0.63) LMNACHRNB2CHRNA4PTGS2KDM4E
SCHEMBL9771901 0.78 LMNA (0.75) LMNACHRNB2CHRNA4ACP3PTGS2
SCHEMBL19661522 0.77 LMNA (0.46) LMNACHRNB2CHRNA4ACP3PTGS2
SCHEMBL10799093 0.77 TAAR1 (0.39) LMNAKDM4EL3MBTL1AOC3
SCHEMBL27694460 0.75 FFAR1 (0.57) LMNAACP3PTGS2
SCHEMBL27532713 0.75 LMNA (0.52) LMNACHRNB2CHRNA4PTGS2L3MBTL1

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-4665246-A Method of producing ethynyl aromatic compounds CHEM BIOCHEM RESEARCH, INC. (US) 1987-05-12 US claimed
US-6888012-B2 Reducing an alpha -haloketone compound by asymmetric hydrogen transfer in presence of a group 9 transition metal compound having a substituted or unsubstituted cyclopentadienyl group and an optically active diamine compound AJINOMOTO CO., INC. (JP) 2005-05-03 US disclosed
US-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals AJINOMOTO CO., INC. (JP) 2004-04-29 US disclosed
EP-1346972-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE HALOHYDRIN COMPOUND Ajinomoto Co., Inc. (JP) 2003-09-24 EP disclosed
US-4665246-A Method of producing ethynyl aromatic compounds CHEM BIOCHEM RESEARCH, INC. (US) 1987-05-12 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-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals DHPS, HDHD5, HYPK LMNA 4062/4885CHRNB2 4588/4885CHRNA4 4327/4885

“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.