SCHEMBL9320809

SCHEMBL9320809

COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPT P10636 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
EPHX2 P34913 3/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
ALDH2 P05091 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL9285601 0.95 MEN1 (0.58) MEN1KMT2AMAPTL3MBTL1CYP1A2
SCHEMBL18331472 0.95 MEN1 (0.58) MEN1KMT2AMAPTL3MBTL1CYP1A2
SCHEMBL11061091 0.89 MEN1 (0.58) MEN1KMT2AMAPTL3MBTL1CYP1A2
SCHEMBL21991482 0.87 HPGD (0.60) MEN1KMT2AMAPTL3MBTL1CYP1A2
SCHEMBL11158124 0.87 KMT2A (0.52) MEN1KMT2AMAPTL3MBTL1CYP1A2
SCHEMBL9363151 0.87 CYP1A2 (0.50) MEN1KMT2AMAPTL3MBTL1CYP1A2
SCHEMBL11319078 0.86 EPHX2 (0.54) MEN1KMT2AMAPTL3MBTL1CYP1A2
SCHEMBL4250581 0.86 KMT2A (0.58) MEN1KMT2AMAPTL3MBTL1CYP1A2
SCHEMBL21991248 0.85 CYP1A2 (0.49) MEN1KMT2AMAPTL3MBTL1CYP1A2
SCHEMBL11168520 0.84 CYP1A2 (0.52) MEN1KMT2AMAPTL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409566-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-12-29 US disclosed
US-20220142961-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-05-12 US disclosed
US-10940132-B2 CCL5 inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-20200138766-A1 CCL5 INHIBITORS LAPKO INC. DBA AFECTA PHARMACEUTICALS 2020-05-07 US disclosed
US-5308830-A Low dosage; nonphytotoxic to crops; pre- and postemergence ROHM AND HAAS COMPANY (US) 1994-05-03 US disclosed
US-5304531-A Preemergent, postemergent, controls weed growth 2-chloro-4-trifluoromethyl-3' (1-(carboethoxy) ethoxycarbonyl)-4-nitrodiphenyl ether BASF CORPORATION 1994-04-19 US disclosed
US-4894479-A CARBONYLOXYAMINO DERIVATIVES ROHM AND HAAS COMPANY (US) 1990-01-16 US disclosed
US-4863507-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1989-09-05 US disclosed
EP-0047972-B1 ENHANCEMENT OF CARBOHYDRATE DEPOSITION IN PLANTS WITH SUBSTITUTED PHENOXYALKANOIC-ACID AND CYCLOHEXANE-DIONE DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1985-10-30 EP disclosed
US-4531969-A Combatting growth of weeds HOECHST AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed
US-4386954-A Herbicidal diphenyl ethers ROHM AND HAAS COMPANY (US) 1983-06-07 US disclosed
US-4252980-A Process for the manufacture of (phenoxy or benzyl)-phenoxypropionic acid methyl esters HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed
EP-0020052-A1 Novel substituted nitrodiphenyl ethers, herbicidal compositions containing them, processes for the preparation thereof and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1980-12-10 EP disclosed
US-4047929-A 3-METHYL-4-AMINO-6-PHENYL-1,2,4-TRIAZIN-5-ONE, 4-PHENOXY-PHENOXY-ALKANECARBOXYLIC ACID BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 US disclosed
US-3985875-A RENIN INHIBITION, ANTIHYPERTENSIVE, ANTICHOLESTEROL AGENTS DAINIPPON PHARMACEUTICAL CO., LTD. (JA) 1976-10-12 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 (4 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-20220142961-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MEN1 3749/4885KMT2A 4842/4885MAPT 4264/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 MEN1 3749/4885KMT2A 4842/4885MAPT 4264/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 MEN1 3749/4885KMT2A 4842/4885MAPT 4264/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 MEN1 3749/4885KMT2A 4842/4885MAPT 4264/4885

“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.