SCHEMBL23712434

SCHEMBL23712434

CCCOCc1ccc(C)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
TRPA1 O75762 2/20 0.38
TSHR P16473 2/20 0.38
CASP1 P29466 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
NPC1 O15118 2/20 0.37
PTPN1 P18031 1/20 0.37
KDM4E B2RXH2 1/20 0.37
BRD4 O60885 1/20 0.37
MITF O75030 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL17775064 0.86 CYP4F2 (0.39) CYP4F2CYP4A11TRPA1TSHRCASP1
SCHEMBL17775061 0.84 CYP4F2 (0.39) CYP4F2CYP4A11TRPA1TSHRCASP1
SCHEMBL18092271 0.83 SKP2 (0.35) ALDH1A1ESR1ESR2NPC1L3MBTL1
SCHEMBL14494168 0.81 KDM4E (0.53) TRPA1CASP1ALDH1A1ESR1NPC1
SCHEMBL21402293 0.79 TUBB4A (0.55) TSHRCYP1A2CYP3A4NFKB1
SCHEMBL4677534 0.77 TSHR (0.43) CYP4F2CYP4A11TRPA1TSHRCASP1
SCHEMBL23750682 0.77 PTPN1 (0.47) TRPA1ALDH1A1ESR1NPC1PTPN1
SCHEMBL863050 0.77 LTA4H (0.48) TSHRALDH1A1ESR1ESR2KDM4E
SCHEMBL14032098 0.76 PKM (0.45) NPC1PTPN1KDM4EBRD4MITF
SCHEMBL117922 0.76 PTPN1 (0.57) TSHRALDH1A1PTPN1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127143-A1 METHOD FOR CONTROLLING PHAKOPSORA PACHYRHIZI HAVING RESISTANCE AGAINST QoI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-04-27 US disclosed
WO-2021153782-A1 METHOD FOR CONTROLLING PHAKOPSORA PACHYRHIZI HAVING RESISTANCE AGAINST QoI FUNGICIDE 住友化学株式会社 2021-08-05 WO 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-20230127143-A1 METHOD FOR CONTROLLING PHAKOPSORA PACHYRHIZI HAVING RESISTANCE AGAINST QoI FUNGICIDE CYC1, COX5B, SQOR CYP4F2 383/4885CYP4A11 367/4885TRPA1 2783/4885

“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.