SCHEMBL18386554

SCHEMBL18386554

CCCCCCCC(C)(CCCC)Cc1cnn(C)c1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.31
KCNH2 Q12809 2/20 0.31
CNR2 P34972 3/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TLR8 Q9NR97 1/20 0.30
CNR1 P21554 1/20 0.30
JAK2 O60674 1/20 0.30
JAK3 P52333 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
SCHEMBL19441245 0.79 TDP1 (0.42) GAASMN1; SMN2KDM4EMEN1USP2
SCHEMBL23709740 0.79 TDP1 (0.42) GAASMN1; SMN2KDM4EMEN1USP2
SCHEMBL20045386 0.77 TDP1 (0.43) KCNH2GAASMN1; SMN2KDM4EMEN1
SCHEMBL24999915 0.76 KCNH2 (0.35) KCNH2GAASMN1; SMN2KDM4EMEN1
SCHEMBL22542275 0.75 CNR1 (0.33) SMPD1CNR2SMN1; SMN2ALDH1A1CNR1
SCHEMBL19139260 0.75 CNR1 (0.33) SMPD1CNR2SMN1; SMN2ALDH1A1CNR1
SCHEMBL12425628 0.75 HSD11B1 (0.39) KCNH2SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL21719506 0.73 CNR1 (0.33) SMPD1CNR2SMN1; SMN2ALDH1A1CNR1
SCHEMBL23583957 0.73 CNR1 (0.33) SMPD1CNR2SMN1; SMN2ALDH1A1CNR1
SCHEMBL22273334 0.73 CNR1 (0.33) SMPD1CNR2SMN1; SMN2ALDH1A1CNR1

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-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 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-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 SMPD1 1277/4885KCNH2 3220/4885CNR2 395/4885

“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.