SCHEMBL5052178

SCHEMBL5052178

Clc1ccc2cc3cc4ccccc4cc3cc2c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.84
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HBB P68871 1/20 0.50
HIF1A Q16665 1/20 0.50
NR4A2 P43354 2/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP19A1 P11511 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
SCHEMBL5464508 1.00 CYP2A6 (0.84) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL1359615 1.00 CYP2A6 (0.84) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL30413044 1.00 CYP2A6 (0.84) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL6036944 1.00 CYP2A6 (0.84) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL29825910 1.00 CYP2A6 (0.84) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
Benzene SCHEMBL28779473 0.97 CYP2A6 (0.80) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL8873844 0.92 CYP2A6 (1.00) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL29843547 0.92 CYP2A6 (1.00) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL30071035 0.92 CYP2A6 (1.00) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL152521 0.92 CYP2A6 (1.00) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1835941-B Acene thiophene semiconductors 3M INNOVATIVE PROPERTIES CO 2012-03-28 CN disclosed
CN-100526269-C Bis (2-acenyl) acetylene semiconductors 3M INNOVATIVE PROPERTIES CO (US) 2009-08-12 CN disclosed
US-7315042-B2 Semiconductors containing trans-1,2-bis(acenyl)ethylene compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-01 US disclosed
US-7315042-B2 Semiconductors containing trans-1,2-bis(acenyl)ethylene compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-01 US disclosed
US-7315042-B2 Semiconductors containing trans-1,2-bis(acenyl)ethylene compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-01 US disclosed
US-7276395-B2 Acene-thiophene semiconductors 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-02 US disclosed
US-7276395-B2 Acene-thiophene semiconductors 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-02 US disclosed
US-7276395-B2 Acene-thiophene semiconductors 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-02 US disclosed
EP-1654207-B1 BIS(2-ACENYL)ACETYLENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES CO (US) 2007-08-22 EP disclosed
US-7115900-B2 Devices having patterned regions of polycrystalline organic semiconductors, and methods of making the same LUCENT TECHNOLOGIES INC. (US) 2006-10-03 US disclosed
EP-1654248-A1 ACENE-THIOPHENE SEMICONDUCTORS 3M Innovative Properties Company (US) 2006-05-10 EP disclosed
EP-1654207-A1 BIS(2-ACENYL)ACETYLENE SEMICONDUCTORS 3M Innovative Properties Company (US) 2006-05-10 EP disclosed
US-20060033086-A1 Depositing a gate electrode material on the substrate;depositing a gate dielectric on the gate electrode material;depositing an organic semiconductor layer comprising acene-thiophene compounds, providing a source electrode and a drain electrode contiguous to the organic semiconductor layer GERLACH CHRISTOPHER P 2006-02-16 US disclosed
US-6998068-B2 Acene-thiophene semiconductors 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-02-14 US disclosed
EP-1536498-A1 Devices having patterned regions of polycrystalline organic semiconductors, and methods of making the same LUCENT TECHNOLOGIES INC. (US) 2005-06-01 EP disclosed
US-20050110006-A1 Devices having patterned regions of polycrystalline organic semiconductors, and methods of making the same LUCENT TECHNOLOGIES, INC. (US) 2005-05-26 US disclosed
WO-2005019198-A1 ACENE-THIOPHENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-03 WO disclosed
WO-2005014511-A1 BIS(2-ACENYL)ACETYLENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-02-17 WO disclosed
US-20050035333-A1 Acene-thiophene semiconductors 3M INNOVATIVE PROPERTIES COMPANY 2005-02-17 US disclosed
US-20050012090-A1 Bis(2-acenyl)acetylene semiconductors 3M INNOVATIVE PROPERTIES COMPANY 2005-01-20 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-20050012090-A1 Bis(2-acenyl)acetylene semiconductors LAMP2, ACAT1, SAT1 CYP2A6 3252/4885ALDH1A1 259/4885TDP1 3878/4885

“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.