SCHEMBL16025535

SCHEMBL16025535

CCC1CC2CC(C)CC(NC(=O)N3CCN(C(=O)c4ccco4)CC3)(C1)C2

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL10016587 0.85 USP2 (0.55) POLBNPSR1ALDH1A1USP2SMN1; SMN2
SCHEMBL5992323 0.70 USP2 (0.49) POLBNPSR1KMT2AALDH1A1USP2
SCHEMBL4080674 0.68 USP2 (0.65) NPSR1GAAKMT2AALDH1A1MEN1
SCHEMBL3323416 0.67 ALDH1A1 (0.59) POLBNPSR1ALDH1A1USP2SMN1; SMN2
SCHEMBL16026437 0.67 ALDH1A1 (0.83) POLBNPSR1GAAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL11816036 0.67 POLB (0.83) POLBNPSR1GAAKMT2AALDH1A1
SCHEMBL12593269 0.67 SMN1; SMN2 (0.68) POLBNPSR1GAAKMT2AALDH1A1
SCHEMBL13612640 0.66 ALDH1A1 (0.72) POLBNPSR1KMT2AALDH1A1GLA
SCHEMBL14350981 0.66 NPSR1 (0.69) POLBNPSR1KMT2AALDH1A1MEN1
SCHEMBL13804475 0.64 ALDH1A1 (0.71) POLBNPSR1GAAALDH1A1SMN1; SMN2

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-20140255386-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME NORTH CAROLINA STATE UNIVERSITY (US) 2014-09-11 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-20140255386-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME AGO2, RNASE1, TRDMT1 POLB 2386/4885NPSR1 3040/4885GAA 1241/4885

“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.