SCHEMBL1286683

SCHEMBL1286683

CC(=O)CCN1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
MAPT P10636 4/20 0.64
POLB P06746 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.61
CYP1A2 P05177 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 5/20 0.48
PAOX Q6QHF9 1/20 0.48
GFER P55789 1/20 0.47
NPC1 O15118 1/20 0.46
MEN1 O00255 2/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL13993956 1.00 ALDH1A1 (0.64) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL29360031 0.98 ALDH1A1 (0.61) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
SCHEMBL11880993 0.98 ALDH1A1 (0.60) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
SCHEMBL13993971 0.93
Succinic Acid SCHEMBL11313801 0.92 CYP1A2 (0.62) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
SCHEMBL23344402 0.87
SCHEMBL12602739 0.87 PAOX (0.59) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
SCHEMBL279742 0.86 CYP1A2 (0.67) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL11824629 0.85 CYP1A2 (0.64) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
SCHEMBL12522442 0.85 PAOX (0.69) ALDH1A1MAPTPOLBL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102095808-B Analysis method of related substances in Ebastine CHONGQING HUAPONT PHARM CO LTD 2014-04-02 CN claimed
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
EP-3377484-B1 METHODS FOR TREATING MULTIPLE SCLEROSIS USING PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2023-09-06 EP disclosed
WO-2023142600-A1 AMINO LIPID, PREPARATION METHOD THEREFOR, AND USE THEREOF 深圳虹信生物科技有限公司 2023-08-03 WO disclosed
EP-4215188-A1 AN AMINO LIPID, PREPARATION METHOD AND APPLICATION THEREOF Shenzhen MagicRNA Biotechnology Co., Ltd. (CN) 2023-07-26 EP disclosed
EP-2718270-B1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2022-04-27 EP disclosed
WO-2022006439-A2 COMPOUND EMBODIMENTS FOR TREATING RETINAL DEGENERATION AND METHOD EMBODIMENTS OF MAKING AND USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-01-06 WO disclosed
US-20210244736-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2021-08-12 US disclosed
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 EP disclosed
WO-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2005012256-A1 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed
EP-0883613-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-12-16 EP disclosed
WO-1997029097-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-08-14 WO disclosed
US-4316903-A BACTERICIDES AND FUNGICIDES MERCK & CO., INC. (US) 1982-02-23 US disclosed
US-4273781-A Treatment of pain, fever, and inflammation with compositions containing piperidinobutan-and 3-buten-2-ones MERCK & CO., INC. (US) 1981-06-16 US disclosed
US-4250184-A ANTIARTHRITIC AGENTS; SKIN DISORDERS; GOUT; RHEUMATIC DISEASES MERCK & CO., INC. (US) 1981-02-10 US disclosed
US-4145426-A FUNGICIDES, BACTERICIDES MERCK & CO., INC. (US) 1979-03-20 US disclosed
US-4035395-A Process for the preparation of ketones BAYER AKTIENGESELLSCHAFT (DT) 1977-07-12 US disclosed
US-4014889-A Process for preparing ketones BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 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 (2 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-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION ALDH1A2, PDE6D, PDE6C ALDH1A1 145/4885MAPT 21/4885POLB 930/4885
US-20210244736-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK ALDH1A1 3107/4885MAPT 4746/4885POLB 1253/4885

“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.