SCHEMBL19322239

SCHEMBL19322239

COc1cc2c(C(=O)C(F)(F)F)c(C(F)(F)F)[nH]c2cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 2/20 0.51
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL19322238 0.89 PDE3B (0.45) L3MBTL1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL19322244 0.86 PDE3B (0.39) L3MBTL1LMNAMTNR1AMTNR1BPDE3B
SCHEMBL19322243 0.86 NCOA1 (0.41) L3MBTL1LMNAMTNR1AMTNR1BPDE3B
SCHEMBL19322240 0.85 MTNR1A (0.42) L3MBTL1LMNAMTNR1AMTNR1BPDE3B
SCHEMBL19322241 0.85 PDE3B (0.39) L3MBTL1LMNAMTNR1AMTNR1BPDE3B
SCHEMBL19317482 0.83 AR (0.36) L3MBTL1LMNAMEN1KMT2AMAPT
SCHEMBL19322245 0.82 KDM4E (0.40) PDE3BPDE3AMEN1KMT2AALDH1A1
SCHEMBL17469284 0.81 PDE3B (0.39) L3MBTL1LMNAPDE3BPDE3AMEN1
SCHEMBL19317487 0.76 MEN1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19322108 0.76 ALDH1A1 (0.49) L3MBTL1MTNR1AMTNR1BMEN1KMT2A

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-20170253580-A1 ORGANIC REACTIONS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-09-07 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-20170253580-A1 ORGANIC REACTIONS MYC, CYP2E1, CYP3A4 L3MBTL1 2148/4885LMNA 3689/4885MTNR1A 3861/4885

“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.