SCHEMBL12434717

SCHEMBL12434717

Cc1ccnn1C[C@H](C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.38
CBLB Q13191 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ELOVL1 Q9BW60 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL12512974 1.00 MAPK1 (0.44) MAPK1ALDH1A1CBLBCYP1A2CYP2C19
SCHEMBL31030362 0.80 MAPK1 (0.49) MAPK1ALDH1A1CBLBCYP1A2CYP2C19
SCHEMBL18806993 0.80 MAPK1 (0.49) MAPK1ALDH1A1CBLBCYP1A2CYP2C19
SCHEMBL8141395 0.80 MAPK1 (0.44) MAPK1ALDH1A1CBLBCYP1A2CYP2C19
SCHEMBL21587664 0.78 MAPK1 (0.46) MAPK1ALDH1A1CBLBCYP1A2CYP2C19
SCHEMBL22516955 0.73 MAPK1 (0.46) MAPK1ALDH1A1CBLBCYP1A2CYP2C19
SCHEMBL16548434 0.72 MAPK1 (0.53) MAPK1ALDH1A1CYP1A2CYP2C19ELOVL1
SCHEMBL257500 0.72
SCHEMBL8511546 0.71 MAPK1 (0.47) MAPK1ALDH1A1CBLBCYP1A2CYP2C19
SCHEMBL22143639 0.71 MAPK1 (0.56) MAPK1ALDH1A1CYP1A2CYP2C19LMNA

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-20110178092-A1 HIV-1 Protease Inhibitors UNIVERSITY OF MARYLAND, COLLEGE PARK 2011-07-21 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-20110178092-A1 HIV-1 Protease Inhibitors SERPINB1, PRSS1, TMPRSS4 MAPK1 3160/4885ALDH1A1 2716/4885CBLB 2695/4885

“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.