SCHEMBL48878

SCHEMBL48878

CCCCc1ccccc1[N]c1ccccc1CCCC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
LIPG Q9Y5X9 1/20 0.46
TLR8 Q9NR97 2/20 0.43
TYR P14679 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
CTRC Q99895 1/20 0.35
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 1/20 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
SCHEMBL3423038 0.86 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C9LIPG
SCHEMBL27540250 0.83 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL24389142 0.83 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL29619878 0.82 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL21765629 0.82 CYP3A4 (0.68) CYP3A4CYP2D6CYP2C9LIPGTLR8
Ammonia Solution, Strong SCHEMBL8748451 0.82 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL3820757 0.82 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL29520482 0.81 LIPG (0.56) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL245188 0.81 LIPG (0.56) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL25165512 0.80 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9LIPGTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070235725-A1 Ethynylene acene polymers and electronic devices generated therefrom XEROX CORPORATION 2007-10-11 US claimed
US-8129467-B2 Curing accelerating compound-silica composite material, method for producing curing accelerating compound-silica composite material, curing accelerator, curable resin composition, and electronic component device HITACHI CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-8013052-B2 Curable resin, production method thereof, epoxy resin composition, and electronic device HITACHI CHEMICAL COMPANY, LTD. (JP) 2011-09-06 US disclosed
US-7795373-B2 Ethynylene acene polymers XEROX CORPORATION (US) 2010-09-14 US disclosed
US-7586120-B2 Ethynylene acene polymers and electronic devices generated therefrom XEROX CORPORATION (US) 2009-09-08 US disclosed
US-20090062460-A1 CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, METHOD FOR PRODUCING CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, CURING ACCELERATOR, CURABLE RESIN COMPOSITION, AND ELECTRONIC COMPONENT DEVICE HITACHI CHEMICAL CO., LTD. (JP) 2009-03-05 US disclosed
US-20090023855-A1 NOVEL CURABLE RESIN, PRODUCTION METHOD THEREOF, EPOXY RESIN COMPOSITION, AND ELECTRONIC DEVICE RESONAC CORPORATION (JP) 2009-01-22 US disclosed
US-20070238855-A1 Ethynylene acene polymers XEROX CORPORATION (US) 2007-10-11 US disclosed
US-20070235725-A1 Ethynylene acene polymers and electronic devices generated therefrom XEROX CORPORATION 2007-10-11 US disclosed
EP-0183191-B1 THIENYLTHIAZOLE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-10 EP disclosed
US-4720493-A Thienylthiazole compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-01-19 US disclosed
EP-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 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 (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-20090062460-A1 CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, METHOD FOR PRODUCING CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, CURING ACCELERATOR, CURABLE RESIN COMPOSITION, AND ELECTRONIC COMPONENT DEVICE NCAPH, RAD51, H1-2 CYP3A4 3968/4885CYP2D6 4504/4885CYP2C9 3839/4885

“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.