SCHEMBL3210296

SCHEMBL3210296

O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.55
P2RX1 P51575 1/20 0.53
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
DDR1 Q08345 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CES2 O00748 1/20 0.46
HSD11B1 P28845 1/20 0.45

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
SCHEMBL423797 0.87 MEN1 (0.62) MAPTMEN1KMT2ADDR1ALDH1A1
SCHEMBL30628796 0.85 CES2 (0.57) TACR1P2RX1RXRARXRBRXRG
SCHEMBL1040696 0.84 PIK3CA (0.55) CNR2MAPTMEN1KMT2ADDR1
SCHEMBL7194757 0.83 TACR1 (0.51) TACR1P2RX1CNR1CNR2MAPT
SCHEMBL1515765 0.81 MAPT (0.61) CNR2MAPTMEN1KMT2AL3MBTL1
SCHEMBL423798 0.80 DDR1 (0.59) MAPTMEN1KMT2ADDR1CES2
SCHEMBL5641399 0.80 ALDH1A1 (0.50) TACR1P2RX1CNR1CNR2MAPT
SCHEMBL1872900 0.80 TACR1 (0.52) TACR1P2RX1
SCHEMBL6970291 0.78 CES2 (0.61) MAPTMEN1KMT2ADDR1ALDH1A1
SCHEMBL504122 0.77 RXRA (0.68) TACR1RXRARXRBRXRGCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029985-A1 Process AVECIA PHARMACEUTICALS LIMITED (GB) 2010-02-04 US disclosed
EP-1851187-A1 PROCESS FOR THE PREPARATION OF SECONDARY AMINES FROM KETONES NPIL Pharmaceuticals (UK) Ltd (GB) 2007-11-07 EP disclosed
WO-2006067395-A1 PROCESS AVECIA PHARMACEUTICALS LIMITED (GB) 2006-06-29 WO 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-20100029985-A1 Process ADH1A, ADH1C, AKR1C3 TACR1 535/4885P2RX1 4104/4885RXRA 428/4885

“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.