SCHEMBL25006754

SCHEMBL25006754

C#Cc1ccc(C(C)(C)CC)c(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.33
AR P10275 1/20 0.33
KIF11 P52732 1/20 0.32
CRHR1 P34998 1/20 0.31
PTPN1 P18031 2/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
PYCR1 P32322 1/20 0.30

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
SCHEMBL31038840 0.84 KIF11 (0.40) TRPV4KIF11CRHR1PTPN1RXRA
SCHEMBL21776816 0.84 KIF11 (0.40) TRPV4KIF11CRHR1PTPN1RXRA
SCHEMBL25005710 0.82 TRPV4 (0.37) TRPV4ARKIF11CRHR1PTPN1
SCHEMBL218113 0.78 IDO1 (0.39)
SCHEMBL22140197 0.75 SMN1; SMN2 (0.37) ARKIF11RXRARXRBRXRG
SCHEMBL23661917 0.75 CES2 (0.43) ARKIF11RXRARXRBRXRG
SCHEMBL22140212 0.74 KDM1A (0.40) ARCRHR1
SCHEMBL27117570 0.73 AR (0.32) AR
SCHEMBL22193615 0.73 PDE2A (0.38) TRPV4ARKIF11CRHR1PTPN1
SCHEMBL22140448 0.71 EPHX2 (0.43) ARCRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 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-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 TRPV4 1004/4885AR 1011/4885KIF11 3974/4885

“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.