SCHEMBL203740

SCHEMBL203740

O=C(Cl)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
DHODH Q02127 2/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
NCEH1 Q6PIU2 1/20 0.43
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
SIRT1 Q96EB6 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PTPN1 P18031 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM2B Q8NHM5 2/20 0.40

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
SCHEMBL22479104 0.94 CYP2A6 (0.45) CYP2A6DHODHKDM4EMEN1ALDH1A1
SCHEMBL30515106 0.94 CYP2A6 (0.45) CYP2A6DHODHKDM4EMEN1ALDH1A1
SCHEMBL25334269 0.90 CYP2A6 (0.42) CYP2A6DHODHKDM4EMEN1ALDH1A1
SCHEMBL727139 0.87 CES2 (0.52) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL29375279 0.87 CES2 (0.52) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL8775402 0.82 LCK (0.48) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL203205 0.81 DHODH (0.55) CYP2A6DHODHKDM4EMEN1ALDH1A1
SCHEMBL30020656 0.81 DHODH (0.55) CYP2A6DHODHKDM4EMEN1ALDH1A1
SCHEMBL1681902 0.80 CES2 (0.50) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL264367 0.79 CYP2A6 (0.55) CYP2A6DHODHKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111636208-B Mesoporous hydrogen bond organic framework fiber composite material and preparation method and application thereof 李鹏 2022-10-11 CN claimed
CN-111636208-A Mesoporous hydrogen bond organic framework fiber composite material and preparation method and application thereof 李鹏 2020-09-08 CN claimed
US-12258353-B2 Heterocyclic compound and organic light-emitting element including same LT MATERIALS CO., LTD. (KR) 2025-03-25 US disclosed
CN-113166171-B Heterocyclic compound and organic light-emitting device comprising the same LT素材株式会社 2024-05-14 CN disclosed
EP-3561892-B1 ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO LTD (KR) 2023-05-10 EP disclosed
CN-111636208-B Mesoporous hydrogen bond organic framework fiber composite material and preparation method and application thereof 李鹏 2022-10-11 CN disclosed
US-20220033415-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING SAME LT MATERIALS CO., LTD. (KR) 2022-02-03 US disclosed
CN-113166171-A Heterocyclic compound and organic light-emitting device comprising the same LT素材株式会社 2021-07-23 CN disclosed
CN-106588890-B Antiviral compounds 吉利德制药有限责任公司 2020-11-27 CN disclosed
CN-111636208-A Mesoporous hydrogen bond organic framework fiber composite material and preparation method and application thereof 李鹏 2020-09-08 CN disclosed
WO-2020116995-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING SAME 엘티소재주식회사 2020-06-11 WO disclosed
WO-2002040484-A2 NOVEL IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-23 WO disclosed
US-5116830-A Stereoisomerically pure 17α-ethynyl-estra-2-en-17β-ol and the 17β esters thereof, methods of preparation and uses SRI INTERNATIONAL (US) 1992-05-26 US disclosed
EP-0190149-B1 STEREOISOMETRICALLY PURE 17-ALPHA-ETHYNYL-ESTRA-2-EN-17BETA-OL AND ESTERS THEREOF SRI INTERNATIONAL (US) 1989-12-13 EP disclosed
US-4788218-A MALE FERTILITY CONTROL SRI INTERNATIONAL (US) 1988-11-29 US disclosed
EP-0190149-A1 STEREOISOMETRICALLY PURE 17-ALPHA-ETHYNYL-ESTRA-2-EN-17BETA-OL AND ESTERS THEREOF. STANFORD RES INST INT (US) 1986-08-13 EP disclosed
EP-0182808-A1 17 a?$g(b)-HYDROXY-7$g(a)-METHYL-D-HOMO-19-NORANDROST-4,16-DIENE-3-ONE AND THE 17-ESTERS THEREOF: METHODS OF PREPARATION AND USES SRI INTERNATIONAL (US) 1986-06-04 EP disclosed
WO-1986001208-A1 STEREOISOMETRICALLY PURE 17-ALPHA-ETHYNYL-ESTRA-2-EN-17BETA-OL AND ESTERS THEREOF SRI INTERNATIONAL (US) 1986-02-27 WO disclosed
WO-1985005361-A1 17abeta-HYDROXY-7alpha-METHYL-D-HOMO-19-NORANDROST-4,16-DIENE-3-ONE AND THE 17-ESTERS THEREOF: METHODS OF PREPARATION AND USES SRI INTERNATIONAL (US) 1985-12-05 WO disclosed
US-3948939-A 9-Acyl-1,2,3,4-tetrahydrocarbazole-3 and 4-carboxylic acids STERLING DRUG INC. (US) 1976-04-06 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 (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-20220033415-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING SAME CRY1, CRY2, LEF1 CYP2A6 91/4885DHODH 328/4885KDM4E 2194/4885
US-12258353-B2 Heterocyclic compound and organic light-emitting element including same CRY1, CRY2, LEF1 CYP2A6 91/4885DHODH 328/4885KDM4E 2194/4885

“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.