SCHEMBL6582499

SCHEMBL6582499

O=C(Cl)c1ccc2c(c1)CCCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
CTNNB1 P35222 1/20 0.49
WNT3A P56704 1/20 0.49
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMYD3 Q9H7B4 1/20 0.47
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM2B Q8NHM5 2/20 0.44
HPGD P15428 1/20 0.44
RXRB P28702 2/20 0.44
RXRA P19793 1/20 0.44
RXRG P48443 1/20 0.44
ALOX15 P16050 1/20 0.43

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
SCHEMBL18585497 0.96 ALDH1A1 (0.68) ALDH1A1CTNNB1WNT3ARAB9ANPC1
SCHEMBL10587731 0.91 ALDH1A1 (0.55) ALDH1A1CTNNB1WNT3ARAB9ANPC1
SCHEMBL9338799 0.84 ALDH1A1 (0.58) ALDH1A1CTNNB1WNT3ARAB9ANPC1
SCHEMBL8922280 0.83 ALDH1A1 (0.47) ALDH1A1CTNNB1WNT3ARAB9ANPC1
SCHEMBL8384926 0.83 ALDH1A1 (0.67) ALDH1A1CTNNB1WNT3ARAB9ANPC1
SCHEMBL9255205 0.82 HTR2C (0.53) ALDH1A1
SCHEMBL29966888 0.81 ALDH1A1 (0.92) ALDH1A1CTNNB1WNT3ARAB9ANPC1
SCHEMBL1713977 0.81 ALDH1A1 (0.92) ALDH1A1CTNNB1WNT3ARAB9ANPC1
SCHEMBL23090398 0.79 ALDH1A1 (0.88) ALDH1A1CTNNB1WNT3ARAB9ANPC1
SCHEMBL15927492 0.79 ALDH1A1 (0.88) ALDH1A1CTNNB1WNT3ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151252-B Iron death inhibitor-diarylamine acetamides 维泰瑞隆有限公司 2024-08-27 CN disclosed
US-20240067597-A1 ESTER COMPOUND MITSUI CHEMICALS, INC. (JP) 2024-02-29 US disclosed
US-20240025838-A1 ESTER COMPOUND MITSUI CHEMICALS, INC. (JP) 2024-01-25 US disclosed
US-20240025838-A1 ESTER COMPOUND MITSUI CHEMICALS, INC. (JP) 2024-01-25 US disclosed
EP-4265593-A1 ESTER COMPOUND Mitsui Chemicals, Inc. (JP) 2023-10-25 EP disclosed
CN-116635364-A Ester compound 三井化学株式会社 2023-08-22 CN disclosed
EP-4206182-A1 ESTER COMPOUND Mitsui Chemicals, Inc. (JP) 2023-07-05 EP disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 US disclosed
CN-115151252-A Iron death inhibitors diarylamine para-acetamides 维泰瑞隆有限公司 2022-10-04 CN disclosed
WO-2022138635-A1 ESTER COMPOUND 三井化学株式会社 2022-06-30 WO disclosed
WO-2022045231-A1 ESTER COMPOUND 三井化学株式会社 2022-03-03 WO disclosed
WO-2013033310-A1 MODULATORS OF REV-ERB KAMENECKA THEODORE MARK (US) 2013-03-07 WO disclosed
EP-0994876-B1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2004-09-08 EP disclosed
US-6380396-B1 CHEMICAL INTERMEDIATES FOR ANTIINFLAMMATORY AGENTS PFIZER INC. 2002-04-30 US disclosed
US-6207678-B1 USED FOR TREATING INFLAMMATORY DISEASE SUCH AS ARTHRITIS, PSORIASIS, ASTHMA OR INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM DISORDER SUCH AS ANXIETY, DEPRESSION, DEMENTIA OR PSYCHOSIS, GASTROINTESTINAL DISORDERS PFIZER INC 2001-03-27 US disclosed
EP-0994876-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 2000-04-26 EP disclosed
WO-1998057972-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1998-12-23 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-20240025838-A1 ESTER COMPOUND NR1H3, CYP4A11, H1-4 ALDH1A1 650/4885CTNNB1 1461/4885WNT3A 1912/4885
US-20240067597-A1 ESTER COMPOUND PPT1, GPER1, TCP1 ALDH1A1 1965/4885CTNNB1 2935/4885WNT3A 3508/4885
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES AIFM2, FECH, GPX4 ALDH1A1 395/4885CTNNB1 3220/4885WNT3A 4650/4885

“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.