SCHEMBL13239252

SCHEMBL13239252

C=CCC1CCCC(CC(=O)OC)O1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MIF P14174 4/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRKCA P17252 2/20 0.31
EPHX2 P34913 1/20 0.30
ELANE P08246 1/20 0.30
CTSG P08311 1/20 0.30
PSMB5 P28074 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
SCHEMBL13218978 1.00 ALDH1A1 (0.33) ALDH1A1LMNAMIFHDAC6CYP3A4
SCHEMBL13238853 0.80 PRSS1 (0.33) CYP2C9CYP2C19
SCHEMBL13218977 0.80 PRSS1 (0.33) CYP2C9CYP2C19
SCHEMBL17581885 0.79 MIF (0.41) MIFHDAC6CYP3A4MAPTCYP2C9
SCHEMBL28359043 0.75 CYP3A4 (0.37) MIFHDAC6CYP3A4MAPTCYP2C9
SCHEMBL8783870 0.75 CYP3A4 (0.37) ALDH1A1LMNACYP3A4MAPTCYP2C19
SCHEMBL8783865 0.75 CYP3A4 (0.37) ALDH1A1LMNACYP3A4MAPTCYP2C19
SCHEMBL8704531 0.72 PRSS1 (0.33)
SCHEMBL8704527 0.72 PRSS1 (0.33)
SCHEMBL8704532 0.72 PRSS1 (0.33)

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-20100217019-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF NEW ACTIN-TARGETING SMALL-MOLECULE AGENTS THE UNIVERSITY OF CHICAGO 2010-08-26 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-20100217019-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF NEW ACTIN-TARGETING SMALL-MOLECULE AGENTS ACTR2, ACTR3, ACTB ALDH1A1 4394/4885LMNA 2237/4885MIF 3984/4885

“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.