SCHEMBL666893

SCHEMBL666893

C=CCC(C(=O)O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 1.00
CYP2D6 P10635 1/20 0.45
SRC P12931 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
EPHX1 P07099 1/20 0.43
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1458050 1.00 CYP2C19 (1.00) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL1458057 1.00 CYP2C19 (1.00) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL10959538 0.98 CYP2C19 (0.96) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL1457969 0.98 CYP2C19 (0.96) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL1458161 0.98 CYP2C19 (0.96) CYP2C19CYP2D6SRCPOLBLMNA
Methyl Alcohol SCHEMBL11775681 0.96 CYP2C19 (0.93) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL5156636 0.89 CYP2C19 (0.80) CYP2C19LMNA
SCHEMBL5371218 0.88 CYP2C19 (0.79) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL6967261 0.86 CYP2C19 (0.76) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL7469210 0.85 CYP2C19 (0.73) CYP2C19CPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111620781-A Alpha-alkyl phenylacetic acid compound with high optical activity and preparation method and application thereof 南京工业大学 2020-09-04 CN claimed
US-8648032-B2 Phenol ester as perfuming ingredient FIRMENICH SA (CH) 2014-02-11 US claimed
EP-2437718-B1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH & CIE (CH) 2013-03-27 EP claimed
EP-2437718-A1 PHENOL ESTER AS PERFUMING INGREDIENT Firmenich S.A. (CH) 2012-04-11 EP claimed
US-20120045408-A1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2012-02-23 US claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
WO-2010140076-A1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2010-12-09 WO claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
US-4992151-A Method for the selective alpha halogenation of alkylaromatic compounds THE DOW CHEMICAL COMPANY (US) 1991-02-12 US claimed
US-4602912-A SYNTHETIC PYRETHROID;FOR KERATINOUS MATERIAL CIBA-GEIBY CORPORATION (US) 1986-07-29 US claimed
EP-0074132-B1 PROTECTION OF CROPS AGAINST SOIL PESTS EMPLOYING AN ALKYLBENZYL CYCLOPROPANE CARBOXYLATE, NOVEL CYCLOPROPANE CARBOXYLATES, AND COMPOSITIONS CONTAINING THEM SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-04-30 EP claimed
EP-0074132-A1 Protection of crops against soil pests employing an alkylbenzyl cyclopropane carboxylate, novel cyclopropane carboxylates, and compositions containing them SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-03-16 EP claimed
JP-2040342-A None JP disclosed
JP-1106871-A None JP disclosed
US-20240200049-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR MAKING POLYPEPTIDES WITH MANY INSTANCES OF NONSTANDARD AMINO ACIDS YALE UNIVERSITY 2024-06-20 US disclosed
US-4039680-A SULFUR CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-02 US disclosed
US-4031235-A Insecticidal substituted acetate compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-06-21 US disclosed
US-4010141-A Anti-fouling composition for use in water comprising a polymer and an organo tin compound KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1977-03-01 US disclosed
US-3996244-A Insecticidal esters of substituted furan methanol SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-12-07 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 (1 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-20120045408-A1 PHENOL ESTER AS PERFUMING INGREDIENT HPD, CYP2E1, CYP2B6 CYP2C19 11/4885CYP2D6 8/4885SRC 2037/4885

“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.