SCHEMBL22184879

SCHEMBL22184879

COc1ccc2cc(C(C)C)c(=O)[nH]c2c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.45
CNR2 P34972 11/20 0.39
TRPV1 Q8NER1 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL22185212 0.84 CNR2 (0.48) CNR2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL22185210 0.83 PDE3B (0.40) CNR2TRPV1CA1CA2CA7
SCHEMBL22199030 0.81 NQO2 (0.43) CNR2KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL22185224 0.78 ALDH1A1 (0.44) CNR2PDE3BPDE3AKDM4EALDH1A1
SCHEMBL22184887 0.75 IDH1 (0.45) TRPV1PDE3BPDE3AGRIN2DGRIN3B
SCHEMBL22184890 0.75 GRIN2D (0.39) EIF4A3CNR2TRPV1GRIN2DGRIN3B
SCHEMBL22184937 0.74 EIF4A3 (0.40) EIF4A3TRPV1GRIN2DGRIN3BGRIN1
SCHEMBL5771632 0.73 GRIN2D (0.38) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9095259 0.72 PDE3B (0.46) CNR2TRPV1PDE3BPDE3AKDM4E
SCHEMBL22185875 0.71 GRIN2D (0.52) PDE3BPDE3AKDM4EALDH1A1HSD17B10

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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A EIF4A3 3498/4885CNR2 4018/4885TRPV1 4635/4885

“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.