SCHEMBL6714239

SCHEMBL6714239

NC(CCCC(F)(F)F)c1ccccc1-c1noc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.45
ESR2 Q92731 7/20 0.45
AOC3 Q16853 2/20 0.36
EPHX2 P34913 5/20 0.36
FFAR4 Q5NUL3 1/20 0.35
HSP90AA1 P07900 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
MAOB P27338 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL6712667 0.85 FAAH (0.43) ESR1ESR2AOC3FFAR4CA12
Hydrochloric Acid SCHEMBL2478721 0.84 FAAH (0.42) ESR1ESR2AOC3FFAR4CA12
Hydrochloric Acid SCHEMBL6712736 0.81 ESR1 (0.41) ESR1ESR2AOC3EPHX2FFAR4
SCHEMBL8508695 0.79 ESR1 (0.40) ESR1ESR2AOC3EPHX2FFAR4
Hydrochloric Acid SCHEMBL6764995 0.78 ESR1 (0.43) ESR1ESR2AOC3FFAR4HSP90AA1
Hydrochloric Acid SCHEMBL6716805 0.78 ESR1 (0.39) ESR1ESR2AOC3FFAR4CA12
SCHEMBL1588339 0.75 ESR1 (0.41) ESR1ESR2AOC3FFAR4HSP90AA1
SCHEMBL1588343 0.75 ESR1 (0.41) ESR1ESR2AOC3FFAR4HSP90AA1
SCHEMBL6710022 0.75 ESR1 (0.41) ESR1ESR2AOC3FFAR4HSP90AA1
SCHEMBL6714363 0.75 ESR1 (0.41) ESR1ESR2AOC3FFAR4HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229910-A1 Therapeutic compounds N.V. ORGANON (NL) 2004-11-18 US disclosed
EP-0898566-B1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION AKZO NOBEL NV (NL) 2002-11-06 EP disclosed
US-20020037885-A1 Therapeutic compounds DIJCKS FREDERICUS ANTONIUS (NL) 2002-03-28 US disclosed
US-6313139-B1 ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS AKZO NOBEL N. V. (NL) 2001-11-06 US disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US disclosed
EP-0898566-A1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION Akzo Nobel N.V. (NL) 1999-03-03 EP disclosed
WO-1997040027-A1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION AKZO NOBEL N.V. (NL) 1997-10-30 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 (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-20040229910-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 ESR1 2865/4885ESR2 1589/4885AOC3 2351/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 ESR1 2865/4885ESR2 1589/4885AOC3 2351/4885

“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.