SCHEMBL3583057

SCHEMBL3583057

O=C(O)C1(Cl)C=CC(c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FABP4 P15090 3/20 0.30
FABP5 Q01469 1/20 0.30
AKR1C1 Q04828 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
SCHEMBL5250513 0.81 MEN1 (0.35) MEN1KMT2A
SCHEMBL28722248 0.80 OPRM1 (0.39) MEN1KMT2A
SCHEMBL316146 0.79 THRB (0.32) THRBTDP1AKR1C1
Hydrochloric Acid SCHEMBL2219432 0.78 THRB (0.32) THRBTDP1AKR1C1
SCHEMBL21328421 0.78 THRB (0.32) THRBTDP1AKR1C1
SCHEMBL28256376 0.78 THRB (0.32) THRBTDP1AKR1C1
SCHEMBL1119645 0.78 THRB (0.35) THRBTDP1AKR1C1
SCHEMBL2121108 0.78 SRR (0.32) THRBTDP1AKR1C1
Hydrochloric Acid SCHEMBL8006256 0.78 THRB (0.32) THRBTDP1AKR1C1
SCHEMBL6843337 0.78 FFAR1 (0.34) MEN1KMT2ATDP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773249-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2022-07-22 CN disclosed
CN-108884058-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-29 CN disclosed
US-8772291-B2 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
CN-101272789-A Melanocortin receptor-specific piperazine and ketone-piperazine compounds PALATIN TECHNOLOGIES INC (US) 2008-09-24 CN disclosed
US-20060122432-A1 Aryl piperidine derivatives and use thereof to reduce elevated levels of ldl-cholesterol GLAXO GROUP LIMITED (GB) 2006-06-08 US disclosed
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 US disclosed
EP-1534280-A1 ARYL PIPERIDINE DERIVATIVES AND USE THEREOF TO REDUCE ELEVATED LEVELS OF LDL-CHOLESTEROL GLAXO GROUP LIMITED (GB) 2005-06-01 EP disclosed
WO-2004006924-A1 ARYL PIPERIDINE DERIVATIVES AND USE THEREOF TO REDUCE ELEVATED LEVELS OF LDL-CHOLESTEROL GLAXO GROUP LIMITED (GB) 2004-01-22 WO disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 US disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO 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-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE GRIN2C, CHAT, COMT MEN1 1568/4885KMT2A 1789/4885THRB 2733/4885
US-20060122432-A1 Aryl piperidine derivatives and use thereof to reduce elevated levels of ldl-cholesterol LDLR, NR1H2, NR1H3 MEN1 4778/4885KMT2A 820/4885THRB 367/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS MEN1 4751/4885KMT2A 2727/4885THRB 1124/4885

“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.