SCHEMBL230807

SCHEMBL230807

O=CCCCCc1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
CALM1 P0DP23 2/20 0.54
TRPV1 Q8NER1 2/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CMA1 P23946 1/20 0.47

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
SCHEMBL27611447 0.98 HDAC1 (0.56) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL27559672 0.95 HDAC1 (0.54) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL7235100 0.95 TAAR1 (0.57) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL869843 0.88 TAAR1 (0.61) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL8077689 0.84 CYP1A2 (0.63) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL7563180 0.83 CYP1A2 (0.61) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL7563151 0.83 CYP1A2 (0.61) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL29584472 0.83 CYP1A2 (0.61) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL8062339 0.83 CYP1A2 (0.61) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL7563159 0.83 CYP1A2 (0.61) HDAC1HDAC3HDAC6HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240102976-A1 METHOD FOR SCREENING PESTICIDE RESIDUES IN MEDICINE FOOD HOMOLOGY CHARACTERISTIC AGRICULTUREAL PRODUCTS CHANGCHUN CUSTOMS TECHNOLOGY CENTER (CN) 2024-03-28 US claimed
EP-3887346-B1 AN EFFICIENT AND ENVIRONMENT FRIENDLY PROCESS FOR CHLOROMETHYLATION OF SUBSTITUTED BENZENES ANTHEA AROMATICS PRIVATE LTD (IN) 2022-05-04 EP claimed
US-11319297-B2 Efficient and environment friendly process for chloromethylation of substituted benzenes ANTHEA AROMATICS PRIVATE LIMITED (IN) 2022-05-03 US claimed
US-20220081406-A1 AN EFFICIENT AND ENVIRONMENT FRIENDLY PROCESS FOR CHLOROMETHYLATION OF SUBSTITUTED BENZENES ANTHEA AROMATICS PRIVATE LIMITED (IN) 2022-03-17 US claimed
US-11154058-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2021-10-26 US claimed
EP-3887346-A1 AN EFFICIENT AND ENVIRONMENT FRIENDLY PROCESS FOR CHLOROMETHYLATION OF SUBSTITUTED BENZENES Anthea Aromatics Private Limited (IN) 2021-10-06 EP claimed
WO-2020250018-A1 AN EFFICIENT AND ENVIRONMENT FRIENDLY PROCESS FOR CHLOROMETHYLATION OF SUBSTITUTED BENZENES ANTHEA AROMATICS PRIVATE LIMITED (IN) 2020-12-17 WO claimed
US-20200329703-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2020-10-22 US claimed
US-10631539-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2020-04-28 US claimed
EP-3638032-A1 FUNGICIDAL COMPOSITIONS Syngenta Participations AG (CH) 2020-04-22 EP claimed
EP-0436692-B1 NOVEL COMBINED COMPOSITIONS FOR COMBATTING PESTS CHINOIN GYOGYSZER ES VEGYESZET (HU) 1995-01-04 EP claimed
US-5130135-A Pyrethroids as insecticides SMITHKLINE BEECHAM PLC (GB) 1992-07-14 US claimed
EP-0436692-A1 NOVEL COMBINED COMPOSITIONS FOR COMBATTING PESTS. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1991-07-17 EP claimed
WO-1991001640-A1 NOVEL COMBINED COMPOSITIONS FOR COMBATTING PESTS CHINOIN GYÓGYSZER ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT (HU) 1991-02-21 WO claimed
EP-0187090-B1 APPARATUS FOR THE DESTRUCTION OF FLYING INSECTS SEB S.A. (FR) 1989-04-05 EP claimed
EP-0133406-B1 CYCLOPROPANECARBOXYLIC-ACID DERIVATIVES, THEIR PREPARATION, THEIR USE AS PARASITICIDES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1987-04-22 EP claimed
US-4457940-A Carboxylic acid ester derivatives, process for manufacturing said derivatives, insecticides and acaricides containing said derivatives, and method for killing insects and acarina by treating therewith DAINIPPON JOCHUGIKU KABUSHIKI KAISHA (JP) 1984-07-03 US claimed
US-3992526-A 5-Ethoxymethyl furfuryl ester of chrysanthemumic acid and its use as an insecticide DAINIPPON JOCHUGIKU KABUSHIKI KAISHA (JA) 1976-11-16 US claimed
US-3982013-A INSECTICIDES DAINIPPON JOCHUGIKU KABUSHIKI KAISHA (JA) 1976-09-21 US claimed
US-3968238-A INSECTICIDE DAINIPPON JOCHUGIKU KABUSHIKI KAISHA (JA) 1976-07-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-10631539-B2 Fungicidal compositions CYP51A1, CYP4X1, CYP1B1 HDAC1 404/4885HDAC3 542/4885HDAC6 586/4885
US-20200329703-A1 FUNGICIDAL COMPOSITIONS PFAS, NAT1, PAH HDAC1 504/4885HDAC3 1455/4885HDAC6 982/4885
US-20220081406-A1 AN EFFICIENT AND ENVIRONMENT FRIENDLY PROCESS FOR CHLOROMETHYLATION OF SUBSTITUTED BENZENES F12, CBR3, CYP2F1 HDAC1 1018/4885HDAC3 1206/4885HDAC6 2860/4885
US-11319297-B2 Efficient and environment friendly process for chloromethylation of substituted benzenes CBR3, CBR1, F12 HDAC1 971/4885HDAC3 1186/4885HDAC6 2841/4885
US-11154058-B2 Fungicidal compositions PFAS, NAT1, PAH HDAC1 504/4885HDAC3 1455/4885HDAC6 982/4885

“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.