SCHEMBL5458745

SCHEMBL5458745

CC1(C)C(C(=O)O)C1(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.36
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL221717 0.78 APLNR (0.41) APLNRTP53MAPK1SMN1; SMN2TDP1
SCHEMBL3696609 0.78 ALDH1A1 (0.36) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2
SCHEMBL14472118 0.77
SCHEMBL15977369 0.77
SCHEMBL11410133 0.76 ALDH1A1 (0.33) APLNRALDH1A1TP53ALOX15MAPK1
Methane SCHEMBL3337389 0.75 APLNR (0.39) APLNR
Hydrochloric Acid SCHEMBL8617904 0.75 APLNR (0.39) APLNR
SCHEMBL15541726 0.74 GAA (0.34) ALOX15
SCHEMBL15541571 0.74 GAA (0.34) ALOX15
Bicarbonate SCHEMBL10606382 0.73 MAPK1 (0.33) APLNRTP53MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024211130-A1 METHODS FOR MODIFYING MEIOTIC RECOMBINATION IN PLANTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2024-10-10 WO claimed
EP-0253536-A2 Fluorobenzyl esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-20 EP claimed
WO-2024211130-A1 METHODS FOR MODIFYING MEIOTIC RECOMBINATION IN PLANTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2024-10-10 WO disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
US-20070208037-A1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES PEES KLAUS-JUERGEN 2007-09-06 US disclosed
US-7230104-B2 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2007-06-12 US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
US-20050282828-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines PEES KLAUS-JUERGEN 2005-12-22 US disclosed
US-20050282847-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines PEES KLAUS-JUERGEN 2005-12-22 US disclosed
EP-1289995-B1 FUNGICIDAL TRIAZOLOPYRIMID-7-YLIDENEAMINES BASF AG (DE) 2005-12-21 EP disclosed
US-5117053-A Intermediate for NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1992-05-26 US disclosed
US-5061731-A Agricultural; horticultural NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-10-29 US disclosed
US-4902814-A CHEMICAL INTERMEDIATES FOR INSECTICIDES AND ACARICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-20 US disclosed
EP-0196156-B1 FLUOROBENZYL ESTERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-07 EP disclosed
EP-0170842-B1 N-BENZYLCYCLOPROPANECARBOXAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND FUNGICIDES FOR AGRICULTURE AND HORTICULTURE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-09-13 EP disclosed
EP-0253536-A2 Fluorobenzyl esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-20 EP disclosed
US-4710518-A Novel N-benzyl-cyclopropanecarboxamide fungicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-12-01 US disclosed
EP-0196156-A1 Fluorobenzyl esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-10-01 EP disclosed
US-4536591-A Insecticidal [1,1'-biphenyl]-3-ylmethyl esters FMC CORPORATION (US) 1985-08-20 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-20050282828-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, CBR1, CYP3A5 APLNR 4799/4885ALDH1A1 1325/4885TP53 4298/4885
US-20070208037-A1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES CBR3, NOX5, CBR1 APLNR 4669/4885ALDH1A1 1311/4885TP53 4086/4885
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 APLNR 4724/4885ALDH1A1 1153/4885TP53 2520/4885
US-20050282847-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, NOX5, CBR1 APLNR 4613/4885ALDH1A1 1319/4885TP53 4389/4885

“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.