SCHEMBL239122

SCHEMBL239122

[c]1c(-c2[c]c3ccccc3cc2)ccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ TSHR P16473 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HPRT1 P00492 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ CYP1B1 Q16678 2/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ THRB P10828 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
SCHEMBL79020 0.85 ALDH1A1 (0.35) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
SCHEMBL3562666 0.85 — —
SCHEMBL3149589 0.82 ALDH1A1 (0.38) ALDH1A1HSD17B10TDP1CYP1A2CYP1B1
SCHEMBL7789583 0.80 CYP2A6 (0.33) CYP2A6HSD17B10TSHRTDP1CYP1A2
SCHEMBL1719526 0.80 GSTP1 (0.44) ALDH1A1HSD17B10CYP1A2HPGDCYP1B1
SCHEMBL4720684 0.80 KDM4E (0.37) ALDH1A1TSHRTDP1CYP1A2CYP3A4
SCHEMBL6929494 0.80 — —
SCHEMBL9418157 0.79 ESR1 (0.47) ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL7139286 0.79 ALDH1A1 (0.41) CYP2A6ALDH1A1TDP1CYP1A2CYP1B1
SCHEMBL3249728 0.79 ALDH1A1 (0.34) CYP2A6ALDH1A1HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117263824-A Synthesis process of pregabalin chiral intermediate 江苏阿尔法药业股份有限公司 2023-12-22 — — CN claimed
EP-2970807-A1 METHOD FOR IMPROVING THERMAL -OXIDATIVE STABILITY AND ELASTOMER COMPATIBILITY ExxonMobil Research and Engineering Company (US) 2016-01-20 — — EP claimed
US-9062269-B2 Method for improving thermal-oxidative stability and elastomer compatibility EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2015-06-23 — — US claimed
WO-2014149406-A1 METHOD FOR IMPROVING THERMAL -OXIDATIVE STABILITY AND ELASTOMER COMPATIBILITY EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-09-25 — — WO claimed
US-20140274836-A1 METHOD FOR IMPROVING THERMAL-OXIDATIVE STABILITY AND ELASTOMER COMPATIBILITY EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-09-18 — — US claimed
US-7049453-B2 “Constrained geometry” metallocenes, method for the production thereof and use of the same for the polymerisation of olefins CELANESE VENTURES GMBH (DE) 2006-05-23 — — US claimed
EP-1089818-B1 CATALYST COMPRISING A COMPLEX OF A METAL OF GROUP VIII AND A PHOSPHINITE LIGAND, AND A METHOD FOR HYDROFORMYLATION BASF AG (DE) 2005-04-06 — — EP claimed
CN-117776830-A Full deuteration preparation method of polycyclic aromatic hydrocarbon 宁波萃英化学技术有限公司 2024-03-29 — — CN disclosed
CN-117263824-A Synthesis process of pregabalin chiral intermediate 江苏阿尔法药业股份有限公司 2023-12-22 — — CN disclosed
WO-2023054417-A1 LITHIUM SALT EXTRACTION AGENT, COMPOSITION, LITHIUM SALT RECOVERY METHOD, AND LITHIUM SALT PRODUCTION METHOD 株式会社レゾナック 2023-04-06 — — WO disclosed
US-20230037858-A1 COMPOSITION CONTAINING ADDITION CONDENSATION PRODUCT, METHOD FOR PRODUCING SAME, USE OF SAME, POLYMERIZATION VESSEL, AND METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-02-09 — — US disclosed
WO-2023277164-A1 ADDITIVE FOR ELECTROLYTE SOLUTIONS, ELECTROLYTE SOLUTION AND ELECTROCHEMICAL DEVICE 昭和電工マテリアルズ株式会社 2023-01-05 — — WO disclosed
US-11345651-B2 Addition condensation product, production method and use of same, polymerization vessel, and production method of polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-31 — — US disclosed
US-4329254-A CHROMATOGRAPHY CHMIELOWIEC JAN 1982-05-11 — — US disclosed
US-4229274-A PHOTOINITIATOR, PHOTOSENSITIZER, QUENCHER, AND COMPOUNDS CONTAINING ACRYLYLOXY GROUPS PPG INDUSTRIES, INC. (US) 1980-10-21 — — US disclosed
US-4026861-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 — — US disclosed
US-4026859-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 — — US disclosed
US-4026860-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 — — US disclosed
US-4020073-A Process for O-acylating thallus salts of 2-pyridone TAYLOR EDWARD C 1977-04-26 — — US disclosed
US-3947488-A O-Acylation using organothallium compounds TAYLOR EDWARD C 1976-03-30 — — 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 (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-11345651-B2 Addition condensation product, production method and use of same, polymerization vessel, and production method of polymer MCCC2, PYCARD, PCCA CYP2A6 2715/4885ALOX12 1760/4885ALDH1A1 2590/4885

“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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