SCHEMBL19831132

SCHEMBL19831132

CC(C)c1cncc(CC(C)c2ccc(F)nc2)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR55 Q9Y2T6 4/20 0.35
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ GRM2 Q14416 2/20 0.32
▸ SLC1A3 P43003 1/20 0.31
▸ SLC1A2 P43004 1/20 0.31
▸ SLC1A1 P43005 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL18763535 0.84 LMNA (0.42) GPR55ESR1ESR2GRM2ALDH1A1
SCHEMBL23758353 0.83 CYP3A4 (0.36) ESR1ESR2SMN1; SMN2NPC1RAB9A
SCHEMBL21076611 0.77 ESR1 (0.37) ESR1ESR2ALDH1A1HTTSMN1; SMN2
SCHEMBL22895111 0.77 NR3C2 (0.41) ESR1ESR2ALDH1A1
SCHEMBL21076444 0.76 ESR1 (0.42) GPR55ESR1ESR2GRM2
SCHEMBL25489183 0.74 CYP2A6 (0.36) SMN1; SMN2CYP11B2NPC1RAB9A
SCHEMBL30144069 0.74 CYP2A6 (0.36) SMN1; SMN2CYP11B2NPC1RAB9A
SCHEMBL3513409 0.74 CYP2A6 (0.36) SMN1; SMN2CYP11B2NPC1RAB9A
SCHEMBL19998188 0.73 ALDH1A1 (0.37) ESR1ESR2ALDH1A1HTTSMN1; SMN2
SCHEMBL12120613 0.72 GABRA1 (0.33) ESR1PRMT5WDR77RAB9A

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-20180030059-A1 COELENTERAZINE ANALOGUES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2018-02-01 — — 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-20180030059-A1 COELENTERAZINE ANALOGUES GLB1, SI, TCF7L2 GPR55 455/4885ESR1 4444/4885ESR2 1569/4885

“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.

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