SCHEMBL2329641

SCHEMBL2329641

NCP(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
TAAR1 Q96RJ0 6/20 0.38
HTR2A P28223 2/20 0.38
CYP2A6 P11509 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
HRH1 P35367 1/20 0.35
MAOA P21397 1/20 0.33
TSHR P16473 1/20 0.33

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
Hydrochloric Acid SCHEMBL3640613 0.95 CYP3A4 (0.41) CYP3A4TDP1LOXL2CYP1A2CYP2C9
SCHEMBL3640618 0.90 CYP3A4 (0.38) CYP3A4TDP1LOXL2CYP1A2CYP2C9
SCHEMBL5414564 0.86 CYP3A4 (0.35) CYP3A4TDP1LOXL2CYP1A2CYP2C9
SCHEMBL474250 0.78 CYP3A4 (0.41) CYP3A4TDP1LOXL2CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL29241928 0.76 CYP3A4 (0.39) CYP3A4TDP1LOXL2CYP1A2CYP2C19
SCHEMBL29192763 0.76 CYP3A4 (0.39) CYP3A4TDP1LOXL2CYP1A2CYP2C9
SCHEMBL28479254 0.76 CYP3A4 (0.39) CYP3A4TDP1LOXL2CYP1A2CYP2C9
Ethylenediamine SCHEMBL14844095 0.76 TAAR1 (0.39) CYP3A4TDP1LOXL2CYP1A2CYP2C19
SCHEMBL27343 0.75 CYP3A4 (0.50) CYP3A4TDP1LOXL2ESR1ESR2
SCHEMBL114543 0.75 CYP3A4 (0.50) CYP3A4TDP1LOXL2CYP1A2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103635421-A Method for obtaining hydrogen by catalytic decomposition of formic acid BAYER TECHNOLOGY SERVICES GMBH 2014-03-12 CN claimed
EP-2534161-A1 ENANTIOMERICALLY ENRICHED AMINODIPHOSPHINES AS LIGANDS FOR THE PREPARATION OF CATALYSTS FOR ASYMMETRIC SYNTHESIS Enantia, S.L. (ES) 2012-12-19 EP claimed
WO-2011098160-A1 ENANTIOMERICALLY ENRICHED AMINODIPHOSPHINES AS LIGANDS FOR THE PREPARATION OF CATALYSTS FOR ASYMMETRIC SYNTHESIS ENANTIA, S.L. (ES) 2011-08-18 WO claimed
CN-122060216-A Degradation method of epoxy hybrid resin 赢创运营有限公司 2026-05-19 CN disclosed
US-10581119-B2 Polymeric ion traps for suppressing or minimizing transition metal ions and dendrite formation or growth in lithium-ion batteries GM Global Technology Operations LLC (US) 2020-03-03 US disclosed
CN-107955024-B Using three ((diphenyl phosphine) methylene) amine as the 15 core silver cluster compounds and its synthetic method and antitumor application thereof of ligand 广西师范大学 2019-10-01 CN disclosed
CN-109331878-A A kind of catalyst for ethylene oligomerization 天津科技大学 2019-02-15 CN disclosed
US-10179331-B2 Ligand based chromium catalyst and application in catalyzing ethylene oligomerization CHINA PETROLEUM & CHEIMCAL CORPORATION (CN) 2019-01-15 US disclosed
US-20190013551-A1 POLYMERIC ION TRAPS FOR SUPPRESSING OR MINIMIZING TRANSITION METAL IONS AND DENDRITE FORMATION OR GROWTH IN LITHIUM-ION BATTERIES GM Global Technology Operations LLC 2019-01-10 US disclosed
US-20170275321-A1 First-Row Transition Metal Hydrogenation and Hydrosilylation Catalysts UNITED STATES DEPARTMENT OF ENERGY 2017-09-28 US disclosed
US-9708355-B2 First-row transition metal hydrogenation and hydrosilylation catalysts ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-07-18 US disclosed
US-20090299645-A1 Genetic analysis COLBY, SUSAN 2009-12-03 US disclosed
US-7511183-B2 Tetramerization of olefins SASOL TECHNOLOGY (PTY) LIMITED (ZA) 2009-03-31 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
CN-1922148-A Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LTD (GB) 2007-02-28 CN disclosed
US-20060229480-A1 Tetramerization of olefins SASOL TECHNOLOGY (PTY) LIMITED (ZA) 2006-10-12 US disclosed
EP-1581342-A1 TETRAMERIZATION OF OLEFINS Sasol Technology (Proprietary) Limited (ZA) 2005-10-05 EP disclosed
CN-1538950-A Method for producton of amines by reductive amination of carbonyl compounds under transfer-hydrogemation conditons �������¹ɷ����޹�˾ 2004-10-20 CN disclosed
WO-2004056479-A1 TETRAMERIZATION OF OLEFINS SASOL TECHNOLOGY (PTY) LTD (ZA) 2004-07-08 WO disclosed
US-4482718-A Process for the preparation of 2-(thien-2-yl)- and 2-(thien-3-yl)-ethylamine derivatives SANOFI (FR) 1984-11-13 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 (3 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-20170275321-A1 First-Row Transition Metal Hydrogenation and Hydrosilylation Catalysts HVCN1, SLC39A3, NECTIN4 CYP3A4 2652/4885TDP1 3467/4885LOXL2 3543/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 CYP3A4 1385/4885TDP1 4183/4885LOXL2 155/4885
US-10179331-B2 Ligand based chromium catalyst and application in catalyzing ethylene oligomerization CHRNE, NOD2, NOD1 CYP3A4 2033/4885TDP1 1443/4885LOXL2 1398/4885

“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.