SCHEMBL433551

SCHEMBL433551

Fc1ccccc1-c1cc[c]cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NISCH Q9Y2I1 1/20 0.38
BACE1 P56817 1/20 0.37
TRPA1 O75762 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
GRM2 Q14416 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 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
SCHEMBL534039 0.82 WDR5 (0.39)
SCHEMBL12856701 0.82 PTPRC (0.56) L3MBTL1ALDH1A1MAPTPTPRCPTPN1
SCHEMBL1836912 0.79 MAPK1 (0.36) L3MBTL1ALDH1A1MAPTPTPRCATM
SCHEMBL201614 0.79 L3MBTL1 (0.50) L3MBTL1ALDH1A1MAPTPTPRCPTPN1
SCHEMBL4824593 0.79 HTR2C (0.46) L3MBTL1ALDH1A1MAPTPTPRCPTPN1
SCHEMBL28385819 0.79 CD274 (0.36)
SCHEMBL3538299 0.79 CTSA (0.33) PDK2
Hydrochloric Acid SCHEMBL29097687 0.77 MAPK1 (0.48) L3MBTL1ALDH1A1MAPTPTPRCPTPN1
Lithium SCHEMBL30864202 0.77 L3MBTL1 (0.48) L3MBTL1ALDH1A1MAPTPTPRCPTPN1
Bromide SCHEMBL29097483 0.77 L3MBTL1 (0.48) L3MBTL1ALDH1A1MAPTPTPRCPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109851602-B 14-deoxy-11,12-dehydro-8,12-epoxy-andrographolide and 15-substituted derivatives thereof 郑州大学 2023-04-11 CN claimed
CN-115385956-A Biaryl diphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN claimed
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 US claimed
CN-112916046-A Three-way catalyst system and application thereof in ethylene oligomerization reaction 万华化学集团股份有限公司 2021-06-08 CN claimed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP claimed
WO-2015114030-A1 ISOXAZOLE DERIVATIVES FOR USE IN THE TREATMENT AND/OR PROPHYLAXIS OF HEART DISEASES GEORG-AUGUST-UNIVERSITÄT GÖTTINGEN STIFTUNG ÖFFENTLICHEN RECHTS, UNIVERSITÄTSMEDIZIN (DE) 2015-08-06 WO claimed
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US claimed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US claimed
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-07-18 US claimed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
EP-0979226-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-02-16 EP claimed
WO-2000006539-A1 ALKENYL SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO claimed
WO-2000006157-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO claimed
US-5831115-A CYCLOBUTANECARBOXAMIDES ABBOTT LABORATORIES (US) 1998-11-03 US claimed
WO-1998047880-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-10-29 WO claimed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 EP claimed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 WO claimed
EP-0821665-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1998-02-04 EP claimed
WO-1996033159-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-10-24 WO claimed
US-4629733-A CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1986-12-16 US 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 (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-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC L3MBTL1 988/4885ALDH1A1 662/4885MAPT 4742/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 L3MBTL1 3966/4885ALDH1A1 204/4885MAPT 4180/4885
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA L3MBTL1 4655/4885ALDH1A1 672/4885MAPT 2396/4885

“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.