SCHEMBL10101674

SCHEMBL10101674

Bc1c(C(C)C)c(=O)[nH]c(=O)n1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
POLB P06746 1/20 0.43
PDE4A P27815 3/20 0.39
ADORA2A P29274 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 5/20 0.36
GAA P10253 3/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL1484507 0.80 MAPT (0.42) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL10100339 0.80 MAPT (0.50) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL1484846 0.69 USP1 (0.38) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL1484525 0.69 PDE4A (0.36) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL12829055 0.69 MAOB (0.36) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL12752174 0.68 KMT2A (0.40) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL12752212 0.67 ALDH1A1 (0.34) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL12752375 0.67 MEN1 (0.36) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL1546553 0.67 MAPT (0.67) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL7540355 0.66 MAPT (0.46) MAPTPOLBPDE4AADORA2APDE4B

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-20120022257-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-26 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-20120022257-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS POLRMT, SAMHD1, POLR1E MAPT 2889/4885POLB 9/4885PDE4A 1709/4885

“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.