SCHEMBL5573799

SCHEMBL5573799

C(#Cc1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.53
CYP1A2 P05177 4/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1B1 Q16678 1/20 0.52
ACACB O00763 1/20 0.46
CYP2A6 P11509 6/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
ALOX12 P18054 1/20 0.44
APP P05067 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 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
SCHEMBL10705668 0.93 ASIC3 (0.63) ASIC3CYP1A2CYP1A1CYP1B1ACACB
SCHEMBL30447338 0.93 ASIC3 (0.63) ASIC3CYP1A2CYP1A1CYP1B1ACACB
SCHEMBL5572006 0.92 ASIC3 (0.52) ASIC3CYP1A2CYP1A1CYP1B1ACACB
SCHEMBL5573818 0.92 ASIC3 (0.52) ASIC3CYP1A2CYP1A1CYP1B1ACACB
SCHEMBL7702432 0.90 CYP1A2 (0.48) ASIC3CYP1A2CYP1A1CYP1B1ACACB
SCHEMBL15185720 0.87 MEN1 (0.49) ASIC3CYP1A2CYP1A1CYP1B1ACACB
SCHEMBL15014341 0.87 CYP2A6 (0.58) ASIC3CYP1A2CYP1A1CYP1B1ACACB
SCHEMBL14849821 0.87 CYP2A6 (0.58) ASIC3CYP1A2CYP1A1CYP1B1ACACB
SCHEMBL23883181 0.85 CYP1A2 (0.50) ASIC3CYP1A2CYP1A1CYP1B1ACACB
SCHEMBL8628482 0.85 ASIC3 (0.61) ASIC3CYP1A2CYP1A1CYP1B1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023157909-A1 METHOD FOR PRODUCING DIARYLACETYLENE DERIVATIVE 関東電化工業株式会社 2023-08-24 WO disclosed
EP-2757086-A1 Hydrocarbon-based fused ring compound and organic light emitting device using the same Heesung Material Ltd. (KR) 2014-07-23 EP disclosed
CN-103922883-A Hydrocarbon-based fused ring compound and organic light emitting device using the same HEESUNG MAT LTD 2014-07-16 CN disclosed
EP-1654207-B1 BIS(2-ACENYL)ACETYLENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES CO (US) 2007-08-22 EP disclosed
US-7109519-B2 Bis(2-acenyl)acetylene semiconductors 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-09-19 US disclosed
EP-1654207-A1 BIS(2-ACENYL)ACETYLENE SEMICONDUCTORS 3M Innovative Properties Company (US) 2006-05-10 EP disclosed
WO-2005014511-A1 BIS(2-ACENYL)ACETYLENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-02-17 WO disclosed
US-20050012090-A1 Bis(2-acenyl)acetylene semiconductors 3M INNOVATIVE PROPERTIES COMPANY 2005-01-20 US disclosed
US-5374701-A Crosslinkable polymers of high strength free of structural defects HAY ALLAN S (CA) 1994-12-20 US disclosed
US-5233046-A DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALLAN S (CA) 1993-08-03 US disclosed
WO-1993009079-A1 DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALAN S (CA) 1993-05-13 WO 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-20050012090-A1 Bis(2-acenyl)acetylene semiconductors LAMP2, ACAT1, SAT1 ASIC3 1274/4885CYP1A2 2762/4885CYP1A1 2842/4885

“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.