SCHEMBL797431

SCHEMBL797431

CCc1c(CC)c(CC)c2cc3c(CC)c4cc5c(CC)c(C(=O)OC)c(C(=O)OC)c(CC)c5cc4c(CC)c3cc2c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CYP3A4 P08684 3/20 0.37
ACHE P22303 1/20 0.37
CNR2 P34972 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HCRTR1 O43613 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 4/20 0.36
KDM4E B2RXH2 5/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
GABRA1 P14867 2/20 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
SCHEMBL10079127 0.98 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL13815350 0.90 MEN1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL10079131 0.88 MEN1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL10079130 0.86 MEN1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL10079121 0.85 NPC1 (0.38) CYP3A4ACHECNR2ALDH1A1HCRTR1
SCHEMBL796755 0.85 CNR2 (0.33) CA12CA1CA2CA7CA9
SCHEMBL10079107 0.84 NPC1 (0.37) CYP3A4ACHECNR2ALDH1A1HCRTR1
SCHEMBL10079108 0.82 LMNA (0.43) CA12CA1CA2CA7CA9
SCHEMBL10079139 0.80 MEN1 (0.38) CYP3A4CNR2ALDH1A1HCRTR1RXFP1
SCHEMBL593342 0.80 MEN1 (0.36) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7901594-B2 Electroconductivity JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2011-03-08 US claimed
CN-1872836-B Organic semiconductor material, organic semiconductor thin film and organic semiconductor device SONY CORP 2012-12-12 CN disclosed
US-8115197-B2 Organic semiconductor material, organic semiconductor thin film and organic semiconductor device SONY CORPORATION (JP) 2012-02-14 US disclosed
EP-1262469-B1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2012-01-11 EP disclosed
US-8022295-B2 Photoelectric conversion devices JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-20 US disclosed
US-20100206382-A1 PHOTOELECTRIC CONVERSION DEVICES JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-08-19 US disclosed
US-20090230387-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM AND ORGANIC SEMICONDUCTOR DEVICE SONY CORPORATION (JP) 2009-09-17 US disclosed
US-20090140241-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM AND ORGANIC SEMICONDUCTOR DEVICE SONY CORPORATION (JP) 2009-06-04 US disclosed
US-20080264487-A1 Photoelectric Conversion Devices JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-10-30 US disclosed
CN-1872836-A Organic semiconductor material, organic semiconductor thin film and organic semiconductor device SONY CORP (JP) 2006-12-06 CN 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-20090140241-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM AND ORGANIC SEMICONDUCTOR DEVICE H1-10, OR10J3, H1-0 CA12 1230/4885CA1 926/4885CA2 2863/4885
US-20090230387-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM AND ORGANIC SEMICONDUCTOR DEVICE H1-10, OR10J3, H1-0 CA12 1230/4885CA1 926/4885CA2 2863/4885

“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.