SCHEMBL799102

SCHEMBL799102

CC(C)c1ccccc1C(=O)CCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.52
USP5 P45974 1/20 0.51
ALDH1A1 P00352 3/20 0.47
CYP2C19 P33261 2/20 0.47
GAA P10253 1/20 0.47
ADAM17 P78536 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 3/20 0.46
LMNA P02545 2/20 0.46
FFAR1 O14842 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP2D6 P10635 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1984108 0.83 HPGD (0.46) ALDH1A1KMT2AMEN1CYP1A2LMNA
SCHEMBL28946645 0.81 CYP1A2 (0.46) KMT2ACYP1A2LMNAPOLBGABRA1
SCHEMBL28946647 0.81 CYP1A2 (0.46) KMT2ACYP1A2LMNAPOLBGABRA1
SCHEMBL7026997 0.80 GABRA1 (0.41) ALDH1A1KMT2AMEN1CYP1A2LMNA
Hydrogen Peroxide SCHEMBL29233362 0.80 SOAT1 (0.49) ALDH1A1KMT2AMEN1HTT
Hydrogen Peroxide SCHEMBL27597692 0.80 SOAT1 (0.49) ALDH1A1KMT2AMEN1HTT
SCHEMBL11458981 0.80 USP5 (0.58) NR4A2USP5ALDH1A1GAAKMT2A
SCHEMBL28946611 0.79 GABRA1 (0.42) ALDH1A1KMT2ALMNASMN1; SMN2HTT
SCHEMBL28946612 0.79 GABRA1 (0.42) ALDH1A1KMT2ALMNASMN1; SMN2HTT
SCHEMBL28216154 0.79 HTT (0.49) ALDH1A1KMT2AMEN1LMNAHTT

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 NR4A2 1831/4885USP5 244/4885ALDH1A1 3750/4885

“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.