SCHEMBL458512

SCHEMBL458512

COc1c(C(C)(C)C)c[c]cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PTGS1 P23219 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TNFRSF1A P19438 2/20 0.33
DHFR P00374 1/20 0.33
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL28381171 0.98 PTGS2 (0.38) PTGS2CA1CA2PTGS1LMNA
SCHEMBL28382229 0.91 PTGS2 (0.35) PTGS2CA1CA2PTGS1LMNA
Magnesium Chloride Anhydrous SCHEMBL29107334 0.91 PTGS2 (0.35) PTGS2CA1CA2PTGS1LMNA
SCHEMBL27961977 0.87 CYP3A4 (0.38) PTGS2CA1CA2LMNATP53
SCHEMBL2290039 0.78 AR (0.33)
SCHEMBL4796005 0.76
SCHEMBL3096012 0.72 CA2 (0.50) PTGS2CA1CA2PTGS1LMNA
SCHEMBL6956929 0.72 PREP (0.34) LMNATP53CYP3A4HPGDALDH1A1
SCHEMBL1550969 0.70 CA2 (0.35) CA1CA2ALOX15ALDH1A1
SCHEMBL5100912 0.70 KDM4E (0.33) CA1CA2ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114423739-B Improved enantioselective hydrogenation of 4-substituted 1, 2-dihydroquinolines in the presence of chiral iridium catalysts and additives 拜耳公司 2024-06-25 CN claimed
CN-118146274-A PNN tridentate ligand with face chirality and phosphine chirality and application thereof in free radical asymmetric functionalization and related reaction 武汉大学 2024-06-07 CN claimed
WO-2024100405-A1 CATALYTIC HYDROGENATION PROCESS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2024-05-16 WO claimed
CN-114621286-B Fluoroalkyl-substituted trivalent organic phosphine compound, and preparation method and application thereof 中山大学 2024-02-27 CN claimed
CN-117567300-A Synthesis method of gamma-amino alcohol containing continuous chiral center 江苏大学 2024-02-20 CN claimed
CN-117567288-A Method and process for preparing chiral secondary alcohol by asymmetric catalytic hydrogenation 凯特立斯(深圳)科技有限公司 2024-02-20 CN claimed
CN-114874134-B Process for preparing nicotine in unprotected asymmetric way 凯特立斯(深圳)科技有限公司 2024-01-12 CN claimed
CN-113527360-B Phosphine-nitrogen ligand and application of complex thereof in catalyzing asymmetric reaction 南方科技大学 2023-12-19 CN claimed
CN-117247337-A Method for asymmetrically synthesizing 1, 2-trans-amino alcohol and derivative thereof 凯特立斯(深圳)科技有限公司 2023-12-19 CN claimed
CN-117209382-A Method and process for preparing chiral secondary alcohol by asymmetric catalytic hydrogenation 凯特立斯(深圳)科技有限公司 2023-12-12 CN claimed
US-7642291-B2 O-acyloxime derivatives, preparation method thereof, and pharmaceutical composition containing the same for prevention and treatment of cardiovascular disease KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-01-05 US claimed
WO-2009054831-A1 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS NOVOLEN TECHNOLOGY HOLDINGS, C.V. (NL) 2009-04-30 WO claimed
US-20050148776-A1 Process for asymmetric hydrogenation of hexahydroquinoline salts DSM IP ASSETS B.V. (NL) 2005-07-07 US claimed
EP-1485357-B1 PROCESS FOR ASYMMETRIC HYDROGENATION OF HEXAHYDROQUINOLINE SALTS DSM IP ASSETS BV (NL) 2005-07-06 EP claimed
EP-1485357-A1 PROCESS FOR ASYMMETRIC HYDROGENATION OF HEXAHYDROQUINOLINE SALTS DSM IP Assets B.V. (NL) 2004-12-15 EP claimed
WO-2003078399-A1 PROCESS FOR ASYMMETRIC HYDROGENATION OF HEXAHYDROQUINOLINE SALTS DSM IP ASSETS B.V. (NL) 2003-09-25 WO claimed
US-6509426-B2 Dichloro(1,1'-dimethylsilylenebis(2-methyl-4-(4-methoxyphenyl) -4H-azulenyl))zirconium, for example; can produce polyolefin with high molecular weight and high melting point for extrusion or injection moldability JAPAN POLYCHEM CORPORATION (JP) 2003-01-21 US claimed
EP-0294937-B1 NOVEL CINNAMOYLAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP claimed
US-4863963-A 5-A-REDUCTASE INHIBITOR ONO PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US claimed
EP-0294937-A2 Novel cinnamoylamide derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-12-14 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-20050148776-A1 Process for asymmetric hydrogenation of hexahydroquinoline salts HRH1, HRH4, HRH2 PTGS2 882/4885CA1 893/4885CA2 884/4885

“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.