SCHEMBL16998375

SCHEMBL16998375

Cc1cccc(NC(=O)C(C)(C)C)c1CCO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.52
CETP P11597 1/20 0.46
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL13879769 0.81 TRPV1 (0.51) TRPV1POLBL3MBTL1RAB9AKMT2A
SCHEMBL3128204 0.81 LMNA (0.52) CETPLMNAPOLBPDK1PDK2
SCHEMBL4870194 0.81 TRPV1 (0.49) TRPV1LMNAPOLBRAB9ANPC1
SCHEMBL10072798 0.77 CETP (0.54) CETPLMNAPOLBL3MBTL1RAB9A
SCHEMBL397003 0.77 PDK1 (0.67) CETPLMNAPOLBPDK1PDK2
SCHEMBL9833634 0.77 LMNA (0.55) CETPLMNAPOLBPDK1PDK2
SCHEMBL9835326 0.76 LMNA (0.54) CETPLMNAPOLBPDK1PDK2
SCHEMBL14003063 0.75 TRPV1 (0.43) TRPV1POLBL3MBTL1MEN1KMT2A
SCHEMBL14667350 0.74 CETP (0.51) CETPLMNAPOLBPDK1PDK2
SCHEMBL2209111 0.74 ALDH1A1 (0.49) CETPLMNAPOLBPDK1PDK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017524-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor KYOTO UNIVERSITY (JP) 2018-07-10 US disclosed
US-20170355715-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR KYOTO UNIVERSITY (JP) 2017-12-14 US disclosed
US-9745323-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor KYOTO UNIVERSITY (JP) 2017-08-29 US disclosed
US-20160303089-A1 COMPOUND PERTAINING TO NEUROPOIESIS AND DRUG COMPOSITION KYOTO UNIVERSITY (JP) 2016-10-20 US disclosed
US-20150225421-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR KYOTO UNIVERSITY (JP) 2015-08-13 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 (4 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-20150225421-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR VHL, TP53, COMT TRPV1 2062/4885CETP 1513/4885LMNA 3876/4885
US-20170355715-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR VHL, TP53, COMT TRPV1 2062/4885CETP 1513/4885LMNA 3876/4885
US-20160303089-A1 COMPOUND PERTAINING TO NEUROPOIESIS AND DRUG COMPOSITION BDNF, DCX, NTRK2 TRPV1 1027/4885CETP 4080/4885LMNA 4473/4885
US-10017524-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor VHL, TP53, COMT TRPV1 2062/4885CETP 1513/4885LMNA 3876/4885

“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.