SCHEMBL9945968

SCHEMBL9945968

CB(O)c1ccc(OC(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
PARP10 Q53GL7 1/20 0.47
ALDH1A3 P47895 1/20 0.45
POLB P06746 1/20 0.44
GLA P06280 1/20 0.43
ALDH1A1 P00352 4/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ENPP2 Q13822 1/20 0.40
GAA P10253 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MCL1 Q07820 1/20 0.38
LMNA P02545 4/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.38
PTPN5 P54829 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL9279 0.84 CA2 (0.58) KMT2APARP10ALDH1A3POLBGLA
Water SCHEMBL29957389 0.83 CA2 (0.56) KMT2APARP10ALDH1A3POLBGLA
SCHEMBL18245156 0.79 ALDH1A3 (0.50) KMT2APARP10ALDH1A3POLBGLA
SCHEMBL2558840 0.79 CA2 (0.52) KMT2APARP10ALDH1A3POLBGLA
Hydrogen Peroxide SCHEMBL28902806 0.78 KMT2A (0.70) KMT2APARP10ALDH1A3POLBGLA
SCHEMBL125543 0.78 ALDH1A3 (0.64) KMT2APARP10ALDH1A3POLBGLA
SCHEMBL9945967 0.78 ENPP2 (0.48) KMT2APARP10ALDH1A1CA2ENPP2
SCHEMBL1373919 0.76 KMT2A (0.50) KMT2APARP10ALDH1A3POLBGLA
SCHEMBL24996834 0.75 CA2 (0.45) CA1CA2ENPP2
SCHEMBL26048241 0.75 CA1 (0.70) ALDH1A1CA1CA2ENPP2GAA

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 KMT2A 4328/4885PARP10 609/4885ALDH1A3 2559/4885

“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.