SCHEMBL523308

SCHEMBL523308

[CH2]CC([CH2])Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
TAAR1 Q96RJ0 4/20 0.44
SIGMAR1 Q99720 3/20 0.44
SLC6A2 P23975 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
CYP1A2 P05177 1/20 0.43
SLC18A2 Q05940 1/20 0.41
ANPEP P15144 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL1287678 0.87 EPHX1 (0.55) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL1007428 0.82 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL9078072 0.81 EPHX1 (0.44) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL8660787 0.78 EPHX1 (0.46) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL1376582 0.78 TRPA1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL8780026 0.78 TRPA1 (0.54) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL5657750 0.78 EPHX1 (0.52) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL9871271 0.77 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL6049243 0.77 EPHX1 (0.50) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL3588912 0.76 EPHX1 (0.55) EPHX1TAAR1SIGMAR1SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed
EP-0758013-B1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL CO LTD (JP) 2000-10-11 EP disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 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 (2 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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 EPHX1 3615/4885TAAR1 269/4885SIGMAR1 1959/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 EPHX1 1905/4885TAAR1 1167/4885SIGMAR1 1922/4885

“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.