SCHEMBL323060

SCHEMBL323060

O=C(O)CC1COCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FEN1 P39748 1/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A12 P48065 3/20 0.32
SLC6A11 P48066 3/20 0.32
SLC6A13 Q9NSD5 3/20 0.32
LMNA P02545 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
SCHEMBL322281 1.00 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM3CYP1A2
SCHEMBL323220 1.00 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM3CYP1A2
Water SCHEMBL4817063 0.98 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM3CYP1A2
SCHEMBL10306685 0.98 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM3CYP1A2
Benzene SCHEMBL5878128 0.96 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM3CYP1A2
Isobutane SCHEMBL11057630 0.92 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM3CYP1A2
Hexane SCHEMBL11488442 0.89 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM3CYP1A2
SCHEMBL8207932 0.84 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM3FEN1
Toluene SCHEMBL1308697 0.83 ALDH1A1 (0.43) CHRM2CHRM4CHRM5CHRM3FEN1
Benzene SCHEMBL11465351 0.82 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357711-A1 Amooranin Compounds and Analogs Thereof and Related Methods of Use ENZYME BIO SYSTEMS (US) 2014-12-04 US claimed
WO-2013101719-A2 AMOORANIN COMPOUNDS AND ANALOGS THEREOF AND RELATED METHODS OF USE NORTHEAST OHIO MEDICAL UNIVERSITY (US) 2013-07-04 WO claimed
US-4801358-A DIMETHYLACETAMIDE BERG LLOYD (US) 1989-01-31 US claimed
US-4801357-A DIMETHYL SULFOXIDE BERG LLOYD (US) 1989-01-31 US claimed
US-4440690-A Process for the synthesis of 6-bromo-17,21-dihydroxy 3,11,20-trioxo-1,4-pregnadienes 17,21-diesters SCHERING CORPORATION (US) 1984-04-03 US claimed
JP-60142991-A None JP disclosed
US-12617777-B2 GPR84 antagonists and uses thereof Liminal Biosciences Limited (GB) 2026-05-05 US disclosed
WO-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 WO disclosed
US-20250223292-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2025-07-10 US disclosed
EP-4534538-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2025-04-09 EP disclosed
WO-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed
EP-4190786-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2025-02-26 EP disclosed
US-4401595-A 4-Allyl azetidinone intermediate for β-lactam antibacterial agents BEECHAM GROUP LIMITED (GB) 1983-08-30 US disclosed
EP-0083975-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 EP disclosed
US-4388467-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1983-06-14 US disclosed
US-4350703-A β-Lactam antibacterial agents BEECHAM GROUP LIMITED (GB) 1982-09-21 US disclosed
US-4334070-A NEUROLEPTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-06-08 US disclosed
US-4088779-A HYPOTENSIVE, ANTIFERTILITY CIBA-GEIGY CORPORATION (US) 1978-05-09 US disclosed
US-4077979-A ANTIASTHMATIC CIBA-GEIGY CORPORATION (US) 1978-03-07 US disclosed
US-4077980-A ANTIASTHMATIC CIBA-GEIGY CORPORATION (US) 1978-03-07 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 (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-12617777-B2 GPR84 antagonists and uses thereof GPR84, GPR88, GPR3 CHRM2 169/4885CHRM4 137/4885CHRM5 193/4885
US-20250223292-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 CHRM2 4763/4885CHRM4 4752/4885CHRM5 4703/4885
US-20140357711-A1 Amooranin Compounds and Analogs Thereof and Related Methods of Use CYP27A1, OAT, AOX1 CHRM2 567/4885CHRM4 421/4885CHRM5 340/4885

“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.