SCHEMBL894067

SCHEMBL894067

CCCCC(NC(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
TACR3 P29371 3/20 0.55
CNR2 P34972 2/20 0.50
NAAA Q02083 2/20 0.49
GPR88 Q9GZN0 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MME P08473 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ASAH1 Q13510 1/20 0.46
ACER2 Q5QJU3 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RIPK1 Q13546 1/20 0.45
FAAH O00519 1/20 0.45

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
SCHEMBL2021993 0.95 TACR3 (0.53) POLBTACR3CNR2NAAAGPR88
SCHEMBL14063604 0.93 TACR3 (0.55) POLBTACR3CNR2NAAANPSR1
SCHEMBL2021335 0.93 TACR3 (0.55) POLBTACR3CNR2NAAANPSR1
SCHEMBL15861956 0.93 TACR3 (0.55) POLBTACR3CNR2NAAANPSR1
SCHEMBL2024979 0.93 TACR3 (0.55) POLBTACR3CNR2NAAANPSR1
SCHEMBL15093398 0.90 POLB (0.56) POLBTACR3CNR2NAAAGPR88
SCHEMBL574487 0.89 TACR3 (0.51) POLBTACR3GPR88MMEALDH1A1
SCHEMBL25270433 0.89 ALDH1A1 (0.45) POLBTACR3ALDH1A1KDM4ELMNA
SCHEMBL29138702 0.88 ALDH1A1 (0.56) POLBTACR3CNR2NAAAGPR88
SCHEMBL1955589 0.87 POLB (0.54) POLBTACR3CNR2NAAAGPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9101143-B2 Formulations containing microencapsulated essential oils BOTANOCAP LTD. (IL) 2015-08-11 US claimed
EP-1845786-A1 FORMULATIONS CONTAINING MICROENCAPSULATED ESSENTIAL OILS Botanocap Ltd. (IL) 2007-10-24 EP claimed
WO-2006077568-A1 FORMULATIONS CONTAINING MICROENCAPSULATED ESSENTIAL OILS BOTANOCAP LTD. (IL) 2006-07-27 WO claimed
EP-3527600-B1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-09 EP disclosed
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-04-13 US disclosed
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-10 US disclosed
EP-3536683-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2021-11-24 EP disclosed
EP-3898613-A1 ANTICANCER COMPOUNDS Pharma Mar S.A. (ES) 2021-10-27 EP disclosed
EP-3372579-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2020-10-28 EP disclosed
WO-2020127194-A1 ANTICANCER COMPOUNDS PHARMA MAR, S.A. (ES) 2020-06-25 WO disclosed
EP-3536683-A1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2019-09-11 EP disclosed
EP-0975587-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed
WO-1998043949-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-08 WO disclosed
EP-0785923-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-07-30 EP disclosed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
EP-0719257-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO disclosed
WO-1995007892-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed
US-4654347-A USEFUL AS ANXIOLYTIC AND ANTIEPILEPTIC AGENTS, SEDATIVE-HYPNOTIC AGENTS AND SKELETAL MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1987-03-31 US disclosed
EP-0031385-A1 PROCESS FOR PREPARING POLYMETHYLENEPOLYPHENYL POLYCARBAMATE MITSUI TOATSU CHEMICALS, Inc. (JP) 1981-07-08 EP 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 (2 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-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B POLB 3507/4885TACR3 2590/4885CNR2 1258/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B POLB 3251/4885TACR3 2586/4885CNR2 1240/4885

“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.