SCHEMBL18067903

SCHEMBL18067903

CCc1ccc(CCCC2CCCCC2)s1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CEL P19835 3/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIGMAR1 Q99720 4/20 0.40
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL18067910 0.90 HPGD (0.44) CYP1A2CELNPC1TP53HPGD
SCHEMBL16901819 0.76 CEL (0.43) CYP1A2CELHPGDSIGMAR1POLB
SCHEMBL6302944 0.75 S1PR3 (0.43) CYP1A2CEL
SCHEMBL386099 0.74 S1PR3 (0.45) CEL
SCHEMBL5169158 0.74 S1PR3 (0.45) CEL
SCHEMBL385547 0.74 CEL (0.39) CYP1A2CELSIGMAR1
SCHEMBL2443148 0.74 CYP1A2 (0.50) CYP1A2CELNPC1RAB9ASIGMAR1
SCHEMBL6310394 0.73 CEL (0.38) CELSIGMAR1
SCHEMBL386679 0.73 CEL (0.38) CELSIGMAR1
SCHEMBL18626660 0.72 CEL (0.41) CYP1A2CELNPC1TP53HPGD

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-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 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-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL CYP1A2 737/4885CEL 1062/4885NPC1 3918/4885

“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.