SCHEMBL9945918

SCHEMBL9945918

CCOc1ccc(C)cc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.44
TRPA1 O75762 1/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPBWR1 P48145 1/20 0.41

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
SCHEMBL9945954 0.87 ALDH1A1 (0.48) L3MBTL1ALDH1A1MAPTPOLBTDP1
SCHEMBL16956296 0.85 MAPT (0.44) L3MBTL1ALDH1A1MAPTPOLBTDP1
SCHEMBL8246277 0.84 ALDH1A1 (0.55) L3MBTL1ALDH1A1MAPTTDP1HPGD
SCHEMBL12952630 0.84 ALDH1A1 (0.50) L3MBTL1ALDH1A1MAPTPOLBTDP1
SCHEMBL24133302 0.83 LMNA (0.40) L3MBTL1ALDH1A1MAPTPOLBTDP1
SCHEMBL18959733 0.82 ALDH1A1 (0.45) L3MBTL1ALDH1A1MAPTPOLBTDP1
SCHEMBL18959732 0.82 ALDH1A1 (0.47) ALDH1A1TDP1RAB9AATMKDM4E
SCHEMBL13640225 0.81 ALDH1A1 (0.36) L3MBTL1ALDH1A1MAPTPOLBTDP1
SCHEMBL11010571 0.81 LMNA (0.48) ALDH1A1POLBTDP1KDM4ELMNA
SCHEMBL18959730 0.80 ALDH1A1 (0.40) L3MBTL1ALDH1A1MAPTPOLBTDP1

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 L3MBTL1 4393/4885ALDH1A1 4010/4885MAPT 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.