SCHEMBL79050

SCHEMBL79050

BrCCCCC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.56
CYP1A2 P05177 1/20 0.54
EPHX1 P07099 1/20 0.39
KDM5A P29375 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM4A O75164 1/20 0.37
MAPT P10636 1/20 0.36
CEL P19835 1/20 0.36

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
SCHEMBL11154618 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL7613945 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL11022414 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL5883485 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL7614811 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL7619522 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL7614743 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL7615078 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL7618517 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL29263636 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112645971-B Method for directly preparing alkyl borate compound from alkyl halide 中国科学院兰州化学物理研究所 2021-12-24 CN claimed
US-20240287019-A1 T-TYPE CALCIUM CHANNEL BLOCKER FUSO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2024-08-29 US disclosed
EP-4353713-A1 T-TYPE CALCIUM CHANNEL BLOCKER Kinki University (JP) 2024-04-17 EP disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
CN-116478154-A Quinuclidine derivative and preparation method and application thereof 北京大学宁波海洋药物研究院 2023-07-25 CN disclosed
CN-116212960-A Aryloxy cyclic ether skeleton metal complex catalyst and preparation method and application thereof 万华化学集团股份有限公司 2023-06-06 CN disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
WO-2022260016-A1 T-TYPE CALCIUM CHANNEL BLOCKER 学校法人近畿大学 2022-12-15 WO disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
WO-2002076995-A2 2-AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2002-10-03 WO disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
EP-0479601-B1 Piperidine derivatives and their use as antiarrhythmic agents AJINOMOTO KK (JP) 1999-12-15 EP disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
US-5229400-A Cardiovascular disorders AJINOMOTO CO., INC. (JP) 1993-07-20 US disclosed
EP-0479601-A2 Piperidine derivatives and their use as antiarrhythmic agents Ajinomoto Co., Inc. (JP) 1992-04-08 EP disclosed
EP-0159784-B1 CARBACYCLIN ANALOGUES THE UPJOHN COMPANY (US) 1989-06-07 EP disclosed
US-4683330-A ANTICOAGULANTS, ANTIULCER AGENTS THE UPJOHN COMPANY (US) 1987-07-28 US disclosed
EP-0159784-A1 Carbacyclin analogues THE UPJOHN COMPANY (US) 1985-10-30 EP 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-11802135-B2 Lysophosphatidic acid derivative LPAR4, LPAR2, LPAR1 SIGMAR1 3530/4885CYP1A2 4026/4885EPHX1 342/4885
US-20240287019-A1 T-TYPE CALCIUM CHANNEL BLOCKER CACNA1G, CACNA1I, CACNA1H SIGMAR1 2729/4885CYP1A2 3930/4885EPHX1 4243/4885
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE LPAR4, LPAR2, LPAR1 SIGMAR1 2984/4885CYP1A2 4252/4885EPHX1 342/4885

“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.