SCHEMBL9945960

SCHEMBL9945960

CB(O)c1cc(OC(C)C)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.41
PARP10 Q53GL7 1/20 0.40
KAT6A Q92794 1/20 0.39
POLB P06746 1/20 0.38
FFAR4 Q5NUL3 11/20 0.37
TRPV3 Q8NET8 1/20 0.37
GLA P06280 1/20 0.37
PDK2 Q15119 1/20 0.36

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
SCHEMBL29587748 0.89 ALDH1A1 (0.44) ALDH1A1KMT2APARP10KAT6APOLB
SCHEMBL8416 0.89 ALDH1A1 (0.44) ALDH1A1KMT2APARP10KAT6APOLB
SCHEMBL29636290 0.79 ALDH1A1 (0.44) ALDH1A1KMT2APARP10KAT6APOLB
SCHEMBL20659060 0.79 ALDH1A1 (0.44) ALDH1A1KMT2APARP10KAT6APOLB
SCHEMBL9945924 0.76 NQO1 (0.43) ALDH1A1KMT2AKAT6AFFAR4
SCHEMBL1020456 0.75 ALDH1A1 (0.47) ALDH1A1KMT2APARP10KAT6APOLB
SCHEMBL30829775 0.75 ALDH1A1 (0.47) ALDH1A1KMT2APARP10KAT6APOLB
SCHEMBL29955317 0.75 ALOX15 (0.40) ALDH1A1KMT2APOLB
SCHEMBL9945941 0.73 TLR8 (0.31)
SCHEMBL16379259 0.73 TRPA1 (0.38) ALDH1A1PDK2

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 ALDH1A1 4010/4885KMT2A 4328/4885PARP10 609/4885

“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.