SCHEMBL20428009

SCHEMBL20428009

CCC(C)(C)Cc1c(F)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
GAA P10253 1/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.45
CYP2A13 Q16696 1/20 0.44
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 3/20 0.41
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.38
MPI P34949 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
SCHEMBL4481165 0.87 KDM4E (0.38) TAAR1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL20428033 0.87 TAAR1 (0.40) TAAR1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL6984300 0.83 TAAR1 (0.55) TAAR1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL27635788 0.77 TAAR1 (0.57) TAAR1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL805461 0.77 TAAR1 (0.61) TAAR1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL13228082 0.73 TAAR1 (0.68) TAAR1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL12561924 0.73 TAAR1 (0.61) TAAR1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL20427978 0.72 KDM4E (0.36) TAAR1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL8341494 0.71 TAAR1 (0.50) TAAR1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL19954215 0.71 HTT (0.53) TAAR1GAAKMT2AMEN1SMN1; SMN2

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-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 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-10035790-B2 RORγ modulators RORB, RORA, RORC TAAR1 1070/4885GAA 2832/4885KMT2A 2258/4885

“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.