SCHEMBL19734040

SCHEMBL19734040

CC(C)c1ccc(CC(C)c2ccncc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
COPS5 Q92905 1/20 0.41
IDO1 P14902 2/20 0.41
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
CYP19A1 P11511 1/20 0.39
KCNH2 Q12809 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37

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
SCHEMBL151540 0.88 ESR1 (0.52) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL4441903 0.87 ESR1 (0.48) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL21999813 0.83 HTR2A (0.42) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL4441899 0.83 ESR1 (0.48) ESR1ESR2SLC6A2SLC6A4SLC6A3
Bromide SCHEMBL11693475 0.81 SLC6A2 (0.63) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL26200718 0.80 SLC6A4 (0.53) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL6545668 0.80 ESR1 (0.59) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL27295384 0.79 SLC6A2 (0.47) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL21076611 0.79 ESR1 (0.37) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL23621914 0.78 ESR1 (0.57) ESR1ESR2COPS5IDO1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-05-21 US disclosed
US-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 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 (2 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-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 ESR1 2268/4885ESR2 892/4885SLC6A2 4822/4885
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors BRD4, BRD3, BRD1 ESR1 2268/4885ESR2 892/4885SLC6A2 4822/4885

“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.