SCHEMBL2834337

SCHEMBL2834337

[c]1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
PTPN1 P18031 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL10839861 1.00 KCNN4 (0.39) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL14937920 0.85 KIF11 (0.43) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL230628 0.82 KCNN4 (0.53) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL5726099 0.79 CYP2C19 (0.40) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL82940 0.79 TSHR (0.48) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL8309862 0.79 TSHR (0.48) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL2164357 0.79 ESR1 (0.54) KCNN4ALDH1A1TSHRMAPK1TAAR1
SCHEMBL693451 0.79 TSHR (0.48) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL294517 0.79 ESR1 (0.54) KCNN4ALDH1A1TSHRMAPK1TAAR1
Bromide SCHEMBL31591135 0.78 KCNN4 (0.50) KCNN4ALDH1A1TSHRMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116670253-A Organic light emitting device 株式会社LG化学 2023-08-29 CN claimed
CN-116554372-A Preparation method of low-entanglement ultra-high molecular weight polyethylene 中国科学院长春应用化学研究所 2023-08-08 CN claimed
CN-116406530-A Organic light emitting device 株式会社LG化学 2023-07-07 CN claimed
WO-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO claimed
CN-113969079-B Pigment type water-based ink and ball-point pen containing same 上海晨光文具股份有限公司 2022-11-22 CN claimed
CN-113969079-A Pigment type water-based ink and ball pen containing same 上海晨光文具股份有限公司 2022-01-25 CN claimed
CN-110408022-B N-linked main chain azobenzene polymer and film preparation method thereof 北京理工大学 2020-06-12 CN claimed
CN-109912619-A organic electroluminescent materials and devices 北京夏禾科技有限公司 2019-06-21 CN claimed
EP-1309576-B1 DI(HET)ARYLAMINOTHIAZOLE DERIVATIVES AND THEIR USE IN ORGANIC LIGHT-EMITTING DIODES (OLED'S) AND ORGANIC PHOTOVOLTAIC COMPONENTS OSRAM OLED GMBH (DE) 2017-11-22 EP claimed
EP-1437395-B2 Organic electroluminescent device LG DISPLAY CO LTD (KR) 2015-08-26 EP claimed
CN-1738794-A Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY (US) 2006-02-22 CN claimed
EP-1603990-A2 ORGANIC ELECTROLUMINESCENT DEVICE LG ELECTRONICS INC. (KR) 2005-12-14 EP claimed
US-20050067951-A1 For example, N,N'-bis-(4'-(N-triphenylmethyl)-phenyl)-N-naphth-1-yl-amino)-bi-phenylyl)-N,N'-bisphenyl-2,7-amino-9-phenylcarbazole; hole transfer material SENSIENT IMAGING TECHNOLOGIES GMBH 2005-03-31 US claimed
US-20040209118-A1 Organic electroluminescent device LG ELECTRONICS INC. 2004-10-21 US claimed
CN-1535089-A Organic electro luminous device LG������ʽ���� 2004-10-06 CN claimed
WO-2004078872-A2 ORGANIC ELECTROLUMINESCENT DEVICE LG ELECTRONICS INC. (KR) 2004-09-16 WO claimed
US-20040137270-A1 Organic electroluminescent device LG ELECTRONICS INC. 2004-07-15 US claimed
EP-1437395-A2 Organic electroluminescent device LG ELECTRONICS INC. (KR) 2004-07-14 EP claimed
WO-1997021678-A1 CARBAMIC ACID DERIVATIVES AS LEUKOTRIENE ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 1997-06-19 WO claimed
US-4117117-A TRIDECAPETIDE HAVING GASTRIN EFFECT MAX PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN (DE) 1978-09-26 US claimed

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-20050067951-A1 For example, N,N'-bis-(4'-(N-triphenylmethyl)-phenyl)-N-naphth-1-yl-amino)-bi-phenylyl)-N,N'-bisphenyl-2,7-amino-9-phenylcarbazole; hole transfer material NAT1, NUCB2, PNN KCNN4 176/4885ALDH1A1 2424/4885TSHR 1351/4885

“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.