SCHEMBL203945

SCHEMBL203945

Cc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ MCL1 Q07820 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ NISCH Q9Y2I1 2/20 0.37
▸ ENPP3 O14638 1/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ AR P10275 1/20 0.35

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
SCHEMBL29000233 1.00 ACHE (0.47) ACHETDP1MCL1ALDH1A1CYP2A6
SCHEMBL27872617 0.92 ACHE (0.40) ACHETDP1MCL1ALDH1A1CYP2A6
SCHEMBL27885278 0.90 MCL1 (0.38) ACHETDP1MCL1ALDH1A1CYP2A6
SCHEMBL28070704 0.90 MCL1 (0.38) ACHETDP1MCL1ALDH1A1CYP2A6
SCHEMBL8215851 0.86 MLYCD (0.40) ACHETDP1MCL1CYP2C9HPGD
SCHEMBL28074310 0.86 ALDH1A1 (0.41) ACHETDP1MCL1ALDH1A1CYP2A6
SCHEMBL208526 0.84 ALDH1A1 (0.35) TDP1ALDH1A1
Water SCHEMBL3763584 0.84 ACHE (0.67) ACHETDP1MCL1ALDH1A1CYP2A6
SCHEMBL17200849 0.84 ALDH1A1 (0.35) TDP1ALDH1A1
Water SCHEMBL3680095 0.84 ACHE (0.67) ACHETDP1MCL1ALDH1A1CYP2A6

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 1149 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603183-A 1,3-dithiane modified alpha, beta-unsaturated derivative and preparation method thereof 兰州大学 2024-02-27 — — CN claimed
CN-115926175-A Halogen-free polyphosphate flame retardant with high polymerization degree and preparation method thereof 缔久高科技材料(南通)有限公司 2023-04-07 — — CN claimed
CN-109912487-B Method for synthesizing 1-p-toluenesulfonyl-2-vinyl-1H-pyrrole 山东理工大学 2023-01-10 — — CN claimed
CN-115166101-A Comprehensive screening method for comprehensively identifying new pollutants in water sample 南京理工大学 2022-10-11 — — CN claimed
CN-110540526-B Carane acidyl 1,2, 3-triazole compound and preparation method and application thereof 广西大学 2022-08-30 — — CN claimed
CN-114716386-A Novel exosome inhibitor and preparation method thereof 北京和理咨询有限公司 2022-07-08 — — CN claimed
CN-110746369-B Method for synthesizing 4-amido isoxazole 华南理工大学 2022-06-14 — — CN claimed
CN-114502543-A Targeted protein compounds, pharmaceutical compositions and therapeutic applications thereof 拜欧斯瑞克斯公司 2022-05-13 — — CN claimed
CN-114206886-A Luminescent gold (III) compound, method for preparing same, and organic light emitting device using same 广东聚华印刷显示技术有限公司 2022-03-18 — — CN claimed
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 — — US claimed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 — — EP claimed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 — — WO claimed
EP-0517542-B1 Organic electroluminescence devices SUMITOMO CHEMICAL CO (JP) 1995-08-30 — — EP claimed
US-5420332-A Aromatic dicarbonate diamines for electrophotography and photoconductive material RICOH COMPANY, LTD. (JP) 1995-05-30 — — US claimed
EP-0294220-B1 Photopolymerizable composition HITACHI CHEMICAL CO LTD (JP) 1994-05-25 — — EP claimed
EP-0517542-A1 Organic electroluminescence devices SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-12-09 — — EP claimed
US-5169856-A Cholinesterase antagonists TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 1992-12-08 — — US claimed
EP-0295044-B1 PHOTOINITIATOR AND PHOTOPOLYMERIZABLE COMPOSITION USING THE SAME Hitachi Chemical Co., Ltd. (JP) 1992-04-22 — — EP claimed
EP-0295044-A2 Photoinitiator and photopolymerizable composition using the same Hitachi Chemical Co., Ltd. (JP) 1988-12-14 — — EP claimed
EP-0294220-A2 Photopolymerizable composition Hitachi Chemical Co., Ltd. (JP) 1988-12-07 — — EP 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-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA ACHE 4156/4885TDP1 4258/4885MCL1 1143/4885

“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.

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