SCHEMBL23022858

SCHEMBL23022858

COC(=O)c1cccc(CNCCC2CCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 3/20 0.60
LOXL2 Q9Y4K0 1/20 0.50
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
HIF1A Q16665 1/20 0.48
SLC7A5 Q01650 1/20 0.47
CASR P41180 1/20 0.47
ROCK2 O75116 3/20 0.46
SIGMAR1 Q99720 1/20 0.46
PKN2 Q16513 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
CXCR4 P61073 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP1 Q9P0U3 1/20 0.43

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
SCHEMBL23022833 0.90 PPM1D (0.50) PPM1DROCK2SIGMAR1PKN2CXCR4
SCHEMBL23004942 0.83 SLC7A5 (0.47) PPM1DSLC7A5ROCK2SIGMAR1CXCR4
SCHEMBL2197290 0.82 CYP4F2 (0.61) PPM1DLOXL2CYP4F2CYP4A11SLC7A5
SCHEMBL21579366 0.80 LOXL2 (0.70) LOXL2CYP4F2CYP4A11HIF1ASLC7A5
SCHEMBL23023088 0.80 ALDH1A1 (0.60) SIGMAR1CXCR4KMT2A
Hydrochloric Acid SCHEMBL16507177 0.80 LMNA (0.49) LOXL2CYP4A11
SCHEMBL23023149 0.80 CXCR4 (0.50) PPM1DSIGMAR1CXCR4
SCHEMBL28206342 0.79 CYP4F2 (0.68) LOXL2CYP4F2CYP4A11HIF1ASLC7A5
SCHEMBL23642786 0.79 CYP4F2 (0.63) PPM1DLOXL2CYP4F2CYP4A11HIF1A
SCHEMBL23004820 0.78 CXCR4 (0.54) SIGMAR1CXCR4

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-20210053997-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-02-25 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-20210053997-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 PPM1D 4169/4885LOXL2 4413/4885CYP4F2 4295/4885

“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.