SCHEMBL9946030

SCHEMBL9946030

CC(C)c1c(F)ccc(OCc2ccccc2Cl)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
SLC6A4 P31645 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
FABP4 P15090 3/20 0.39
FABP5 Q01469 3/20 0.39

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
SCHEMBL9946033 0.87 MCL1 (0.49) MAPTSLC6A4NPC1RAB9ASMN1; SMN2
SCHEMBL2560928 0.75 MAPT (0.46) MAPTSLC6A4HPGDNPC1RAB9A
SCHEMBL12360648 0.74 L3MBTL1 (0.40) SMN1; SMN2KMT2AHTT
SCHEMBL19736992 0.72 MAPT (0.56) MAPTSLC6A4NPC1RAB9ASMN1; SMN2
SCHEMBL30765109 0.70 HSD11B1 (0.42) MAPTSLC6A4HPGDNPC1RAB9A
SCHEMBL9945978 0.70 CYP1A2 (0.39) SMN1; SMN2GAATHRB
SCHEMBL14854759 0.70 MAOB (0.48) MAPTSLC6A4HPGDNPC1RAB9A
SCHEMBL14784730 0.69 MAPT (0.47) MAPTSLC6A4HPGDNPC1RAB9A
SCHEMBL30765090 0.69 HTT (0.48) HPGDMEN1KMT2AHDAC8FFAR1
SCHEMBL12360652 0.68 TP53 (0.36) MAPTHPGDRAB9ASMN1; SMN2TP53

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 MAPT 2718/4885SLC6A4 83/4885HPGD 2142/4885

“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.