SCHEMBL9945945

SCHEMBL9945945

CCOc1c(C)cc(C)cc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
GLA P06280 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 0.34
MCL1 Q07820 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CRHR1 P34998 2/20 0.33
SCN4A P35499 2/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL11586155 0.83 MAPT (0.43) KMT2AGLAMAPTALDH1A1HSD17B10
SCHEMBL10269004 0.82 RXRA (0.42) KMT2AGLAMAPTALDH1A1HSD17B10
SCHEMBL9945979 0.77 SRC (0.44) ALDH1A1KDM4EGAALMNA
SCHEMBL9946063 0.77 THRA (0.44) KMT2AMAPTALDH1A1GAAHTR2A
SCHEMBL15012822 0.76 TSHR (0.34) GLAMAPTALDH1A1HSD17B10KDM4E
SCHEMBL9946064 0.76 MAOB (0.47) ALDH1A1THRATHRBLMNA
SCHEMBL9945999 0.75 POLB (0.40) KMT2AGLAMAPTALDH1A1HSD17B10
SCHEMBL16328171 0.73 ALDH1A1 (0.43) KMT2AGLAMAPTALDH1A1HSD17B10
SCHEMBL12440994 0.73 MAPT (0.51) KMT2AMAPTALDH1A1HSD17B10KDM4E
SCHEMBL14943725 0.73 HTR2A (0.38) KMT2AGLAMAPTALDH1A1HSD17B10

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 4328/4885GLA 4681/4885MAPT 2718/4885

“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.