SCHEMBL1428025

SCHEMBL1428025

COC(=O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
GAA P10253 2/20 0.62
ABCC4 O15439 1/20 0.62
TSHR P16473 1/20 0.62
PTGS1 P23219 1/20 0.62
HTT P42858 1/20 0.62
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
HPGD P15428 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
PKM P14618 1/20 0.55
NFKB1 P19838 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPT P10636 1/20 0.53

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
SCHEMBL3357146 0.93 GAA (0.55) LMNAGAAABCC4TSHRPTGS1
SCHEMBL27594421 0.92 HPGD (0.55) LMNAGAAABCC4TSHRPTGS1
SCHEMBL3358287 0.91 CYP4F2 (0.59) LMNAGAAABCC4TSHRPTGS1
SCHEMBL4675 0.88 ALDH1A1 (0.62) LMNATSHRCYP4F2CYP4A11KMT2A
SCHEMBL1870609 0.88 ALDH1A1 (0.62) LMNATSHRCYP4F2CYP4A11KMT2A
Benzene SCHEMBL28096336 0.88 ALDH1A1 (0.62) LMNATSHRCYP4F2CYP4A11KMT2A
SCHEMBL7236732 0.87 FFAR1 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1FFAR1
SCHEMBL6801321 0.87 LMNA (0.56) LMNAGAAABCC4TSHRPTGS1
Hydrochloric Acid SCHEMBL9268979 0.86 ALDH1A1 (0.61) LMNATSHRCYP4F2CYP4A11KMT2A
Ethane SCHEMBL10923525 0.86 ALDH1A1 (0.61) LMNATSHRCYP4F2CYP4A11KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106431911-B Preparation and purification method of 4-felbinac 黄石市利福达医药化工有限公司 2021-05-28 CN claimed
US-4046814-A Preparation of diketones WRIGHT STATE UNIVERSITY (US) 1977-09-06 US claimed
US-11485721-B2 Method for the metal-free preparation of a biaryl by a photosplicing reaction and their uses Leibniz-Institut für Naturstoff-Forschung und Infektionsbiologie e. V. Hans-Knöll-Institut (DE) 2022-11-01 US disclosed
US-11485721-B2 Method for the metal-free preparation of a biaryl by a photosplicing reaction and their uses Leibniz-Institut für Naturstoff-Forschung und Infektionsbiologie e. V. Hans-Knöll-Institut (DE) 2022-11-01 US disclosed
CN-106431911-B Preparation and purification method of 4-felbinac 黄石市利福达医药化工有限公司 2021-05-28 CN disclosed
CN-106431911-B Preparation and purification method of 4-felbinac 黄石市利福达医药化工有限公司 2021-05-28 CN disclosed
US-20200339529-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. HANS-KNÖLL-INSTITUT (HKI) (DE) 2020-10-29 US disclosed
US-20200339529-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. HANS-KNÖLL-INSTITUT (HKI) (DE) 2020-10-29 US disclosed
EP-3713910-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES Leibniz-Institut für Naturstoff-Forschung und Infektionsbiologie e.V. -Hans-Knöll-Institut- (HKI) (DE) 2020-09-30 EP disclosed
US-10414728-B2 Use of tetrahydropyridines in the treatment of sodium channel related disease and disorders CENNERV PHARMA (S) PTE LTD (SG) 2019-09-17 US disclosed
US-10414728-B2 Use of tetrahydropyridines in the treatment of sodium channel related disease and disorders CENNERV PHARMA (S) PTE LTD (SG) 2019-09-17 US disclosed
CN-1243510-A Tricyclicbenzo [3] isoindole and benzo (h) isoquinoline HOFFMANN LA ROCHE (CH) 2000-02-02 CN disclosed
WO-1999031066-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed
EP-0900197-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
WO-1997030027-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1997-08-21 WO disclosed
EP-0564960-A1 Imidazopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-10-13 EP disclosed
EP-0171084-B1 PHARMACEUTICAL OIL-IN-WATER TYPE MICRO-EMULSION LEDERLE (JAPAN) LTD. (JP) 1991-06-05 EP disclosed
US-4647586-A BIPHENYLACETIC ACID ESTER LEDERLE (JAPAN), LTD. (JP) 1987-03-03 US disclosed
EP-0171084-A2 Pharmaceutical oil-in-water type micro-emulsion LEDERLE (JAPAN) LTD. (JP) 1986-02-12 EP disclosed
US-4046814-A Preparation of diketones WRIGHT STATE UNIVERSITY (US) 1977-09-06 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 (3 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-11485721-B2 Method for the metal-free preparation of a biaryl by a photosplicing reaction and their uses CBR3, POR, CYP2F1 LMNA 944/4885GAA 1257/4885ABCC4 2595/4885
US-20200339529-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES CBR3, POR, CYP2F1 LMNA 944/4885GAA 1257/4885ABCC4 2595/4885
US-10414728-B2 Use of tetrahydropyridines in the treatment of sodium channel related disease and disorders KCND2, KCNJ2, KCNH3 LMNA 2110/4885GAA 1459/4885ABCC4 372/4885

“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.