SCHEMBL22487923

SCHEMBL22487923

CCCCCCCC(C)(CCCCC)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
CNR2 P34972 3/20 0.36
MAPK1 P28482 1/20 0.35
CNR1 P21554 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
KCNH2 Q12809 2/20 0.35
GRIN2B Q13224 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TLR8 Q9NR97 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33

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
SCHEMBL20031198 0.94 HPGD (0.35) HPGDCNR2MAPK1CNR1ALDH1A1
SCHEMBL25086407 0.89 CNR2 (0.39) CNR2CNR1
SCHEMBL19388376 0.88 TRPV4 (0.40) CNR2CNR1KCNH2GRIN2BCYP2D6
SCHEMBL24876756 0.88 TRPV4 (0.40) CNR2CNR1KCNH2GRIN2BCYP2D6
SCHEMBL19633846 0.88 CNR2 (0.38) CNR2CNR1
SCHEMBL21191578 0.85 TRPV4 (0.38) CNR2CNR1KCNH2GRIN2BCYP2D6
SCHEMBL22023804 0.85 TRPV4 (0.40) HPGDCNR2CNR1KCNH2GRIN2B
SCHEMBL21191574 0.84 TRPV4 (0.39) HPGDCNR2CNR1KCNH2GRIN2B
SCHEMBL22024373 0.84 TRPV4 (0.39) HPGDCNR2CNR1ALDH1A1KCNH2
SCHEMBL23634137 0.81 TRPV4 (0.42) HPGDMAPK1ALDH1A1PKMKCNH2

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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS HPGD 2319/4885CNR2 3487/4885MAPK1 48/4885

“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.