SCHEMBL3828830

SCHEMBL3828830

Fc1ccc2cc3cc4cc5cc(F)ccc5cc4cc3cc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
CYP2A6 P11509 1/20 0.68
BACE1 P56817 1/20 0.46
AHR P35869 2/20 0.44
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL11303205 1.00 CYP1A2 (0.68) CYP1A2CYP2A6BACE1AHRCASP3
SCHEMBL30366405 0.93 CYP1A2 (0.77) CYP1A2CYP2A6BACE1AHRCASP3
SCHEMBL6562601 0.93 CYP1A2 (0.77) CYP1A2CYP2A6BACE1AHRCASP3
SCHEMBL2580472 0.91 CYP2A6 (0.84) CYP1A2CYP2A6BACE1AHRCASP3
SCHEMBL1310942 0.91 CYP2A6 (0.84) CYP1A2CYP2A6BACE1AHRCASP3
SCHEMBL8789837 0.91 CYP2A6 (0.84) CYP1A2CYP2A6BACE1AHRCASP3
SCHEMBL6564751 0.90 CYP1A2 (0.72) CYP1A2CYP2A6BACE1AHRCASP3
SCHEMBL29936739 0.90 CYP1A2 (0.72) CYP1A2CYP2A6BACE1AHRCASP3
SCHEMBL8563678 0.88 CYP1A2 (0.62) CYP1A2CYP2A6BACE1AHRCASP3
SCHEMBL12278198 0.84 CYP1A2 (0.52) CYP1A2CYP2A6BACE1AHRCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119804-B2 Organic semiconducting layers MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
US-8119804-B2 Organic semiconducting layers MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
US-7842942-B2 Organic semiconducting layers MERCK PATENT GMBH (DE) 2010-11-30 US disclosed
US-7842942-B2 Organic semiconducting layers MERCK PATENT GMBH (DE) 2010-11-30 US disclosed
US-7807993-B2 Organic pentacene semiconducting layers MERCK PATENT GMBH (DE) 2010-10-05 US disclosed
US-7807993-B2 Organic pentacene semiconducting layers MERCK PATENT GMBH (DE) 2010-10-05 US disclosed
US-20100227956-A1 Organic Semiconducting Layers FLEXENABLE TECHNOLOGY LIMITED (GB) 2010-09-09 US disclosed
US-20100227956-A1 Organic Semiconducting Layers FLEXENABLE TECHNOLOGY LIMITED (GB) 2010-09-09 US disclosed
US-7576208-B2 Organic semiconductor layers MERCK PATENT GMBH (DE) 2009-08-18 US disclosed
US-7576208-B2 Organic semiconductor layers MERCK PATENT GMBH (DE) 2009-08-18 US disclosed
US-20050288522-A1 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY 2005-12-29 US disclosed
US-6974877-B2 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-12-13 US disclosed
CN-1592729-A Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES CO (US) 2005-03-09 CN disclosed
US-20050019592-A1 Organic polymers, laminates, and capacitors 3M INNOVATIVE PROPERTIES COMPANY 2005-01-27 US disclosed
WO-2004102652-A1 ORGANIC POLYMERS, ELECTRONIC DEVICES, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-25 WO disclosed
WO-2004102690-A2 ORGANIC POLYMERS, LAMINATES, AND CAPACITORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-25 WO disclosed
US-20040222412-A1 Organic polymers, electronic devices, and methods 3M INNOVATIVE PROPERTIES COMPANY 2004-11-11 US disclosed
EP-1430008-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M Innovative Properties Company (US) 2004-06-23 EP disclosed
US-20030100779-A1 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY 2003-05-29 US disclosed
WO-2003027050-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 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 (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-20050288522-A1 Process for preparing pentacene derivatives RARA, RARB, C9 CYP1A2 1178/4885CYP2A6 797/4885BACE1 3145/4885
US-20030100779-A1 Process for preparing pentacene derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PCBP1, RARA CYP1A2 762/4885CYP2A6 258/4885BACE1 3044/4885

“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.