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
SCHEMBL6929494 0.80
SCHEMBL4720684 0.80 KDM4E (0.37) ALDH1A1TSHRTDP1CYP1A2CYP3A4
SCHEMBL1719526 0.80 GSTP1 (0.44) ALDH1A1HSD17B10CYP1A2HPGDCYP1B1
SCHEMBL7789583 0.80 CYP2A6 (0.33) CYP2A6HSD17B10TSHRTDP1CYP1A2
SCHEMBL10501303 0.79 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRTDP1CYP1A2
SCHEMBL8325832 0.79 CYP1A2 (0.39) CYP2A6CYP1A2HPGDCYP1B1CYP1A1
SCHEMBL8359885 0.79 MEN1 (0.42) ALDH1A1HSD17B10TSHRTDP1CYP1A2

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.