SCHEMBL3400752

SCHEMBL3400752

c1ccc(-c2ccc(-c3cccnc3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.79
ALDH1A1 P00352 3/20 0.79
CYP3A4 P08684 2/20 0.79
CYP1A2 P05177 1/20 0.79
MKNK1 Q9BUB5 3/20 0.67
MKNK2 Q9HBH9 3/20 0.67
CYP11B2 P19099 2/20 0.63
CYP19A1 P11511 2/20 0.63
KIF11 P52732 1/20 0.63
CYP17A1 P05093 1/20 0.63
CYP11B1 P15538 1/20 0.63
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
KDM4E B2RXH2 2/20 0.58
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58

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
SCHEMBL29468039 1.00 CYP2A6 (0.79) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL27634806 0.97 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL16405704 0.97 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
Biphenyl SCHEMBL28338714 0.97 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL29500136 0.97 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL141605 0.97 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL31588397 0.95 CYP2A6 (0.79) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL31124557 0.95 CYP2A6 (0.79) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL30963953 0.95 CYP2A6 (0.79) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL29234687 0.95 CYP2A6 (0.79) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118102830-A Method for preparing boron and phenyl co-modified carbon nitride warm white light emitting diode 青岛科技大学 2024-05-28 CN claimed
CN-117693245-A Pixel unit, preparation method thereof, array substrate and display device 广东聚华印刷显示技术有限公司 2024-03-12 CN claimed
CN-114940684-A White light luminescent copper halide complex and preparation method and application thereof 浙江大学温州研究院 2022-08-26 CN claimed
CN-113214221-B Combined luminescent material and application thereof 华南理工大学 2022-07-26 CN claimed
CN-113410402-A OLED device structure, display panel and display device 咸阳彩虹光电科技有限公司 2021-09-17 CN claimed
CN-113214221-A Combined luminescent material and application thereof 华南理工大学 2021-08-06 CN claimed
EP-3233873-A1 PROAZAPHOSPHATRANES AS N-DOPANTS IN ORGANIC ELECTRONICS Siemens Aktiengesellschaft (DE) 2017-10-25 EP claimed
EP-3230295-A1 AMINO PHOSPHAZENE BASES AS N-DOPANTS IN ORGANIC ELECTRONICS Siemens Aktiengesellschaft (DE) 2017-10-18 EP claimed
WO-2016116202-A1 AMINO PHOSPHAZENE BASES AS N-DOPANTS IN ORGANIC ELECTRONICS SIEMENS AKTIENGESELLSCHAFT (DE) 2016-07-28 WO claimed
WO-2016116205-A1 PROAZAPHOSPHATRANES AS N-DOPANTS IN ORGANIC ELECTRONICS SIEMENS AKTIENGESELLSCHAFT (DE) 2016-07-28 WO claimed
CN-101179112-B Organic light emitting diode including organic layer comprising organic metal complex SAMSUNG SDI CO LTD 2010-12-15 CN claimed
CN-101179112-A Organic light emitting diode including organic layer comprising organic metal complex SAMSUNG SDI CO LTD (KR) 2008-05-14 CN claimed
CN-1772839-A Organic illuminating device SAMSUNG SDI CO LTD (KR) 2006-05-17 CN claimed
US-12115154-B2 Compounds for the modulation of proprotein convertase subtilisin/kexin type 9 (PCSK9) SRX CARDIO, LLC (US) 2024-10-15 US disclosed
CN-118234276-A Field effect light emitting transistor, manufacturing method thereof, display panel and electronic equipment 北京小米移动软件有限公司 2024-06-21 CN disclosed
CN-118102830-A Method for preparing boron and phenyl co-modified carbon nitride warm white light emitting diode 青岛科技大学 2024-05-28 CN disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
CN-101048405-A Aryl-substituted piperazine derivatives NEUROGEN CORP (US) 2007-10-03 CN disclosed
CN-1772839-A Organic illuminating device SAMSUNG SDI CO LTD (KR) 2006-05-17 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 (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-12115154-B2 Compounds for the modulation of proprotein convertase subtilisin/kexin type 9 (PCSK9) PCSK9, PCSK6, PCSK7 CYP2A6 3239/4885ALDH1A1 4740/4885CYP3A4 3772/4885

“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.