SCHEMBL6711049

SCHEMBL6711049

OCc1ccccc1-c1noc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.56
ESR2 Q92731 10/20 0.56
FFAR4 Q5NUL3 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAOB P27338 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
AOC3 Q16853 2/20 0.39
HIF1A Q16665 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
SCHEMBL933225 0.84 ESR1 (0.50) ESR1ESR2FFAR4HSP90AA1MAOB
Hydrochloric Acid SCHEMBL6710060 0.83 ESR1 (0.49) ESR1ESR2FFAR4HSP90AA1MAOB
SCHEMBL6711210 0.83 ESR1 (0.49) ESR1ESR2FFAR4HSP90AA1MAOB
SCHEMBL6713974 0.82 ESR1 (0.49) ESR1ESR2FFAR4MAOBCA12
SCHEMBL2478804 0.80 ESR1 (0.46) ESR1ESR2FFAR4HSP90AA1MAOB
SCHEMBL29898840 0.80 ESR1 (0.37) ESR1ESR2HSP90AA1HIF1AEPAS1
SCHEMBL14261867 0.79 ESR1 (0.72) ESR1ESR2FFAR4HSP90AA1
Hydrochloric Acid SCHEMBL6712700 0.79 ESR1 (0.45) ESR1ESR2LMNA
Hydrochloric Acid SCHEMBL6710202 0.79 ESR1 (0.45) ESR1ESR2FFAR4MAOBCA12
SCHEMBL29898894 0.78 ESR1 (0.51) ESR1ESR2FFAR4LMNAAOC3

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 9 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
CN-1139580-C Substituted benzylamines and their use for the treatment of depression ��˹��ŵ�� 2004-02-25 CN 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
CN-1219169-A Substituted benzylamines and their use for the treatment of depression AKZO NOBEL NV (NL) 1999-06-09 CN 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 1589/4885FFAR4 1056/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 ESR1 2865/4885ESR2 1589/4885FFAR4 1056/4885

“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.