SCHEMBL6711270

SCHEMBL6711270

CCOC(OCC)c1ccc(F)cc1C(=O)c1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CHRNA7 P36544 2/20 0.45
CES2 O00748 4/20 0.45
CES1 P23141 4/20 0.45
POLB P06746 2/20 0.36
MDM2 Q00987 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
MRGPRX1 Q96LB2 2/20 0.34
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMA1 P25786 1/20 0.34
PSMA2 P25787 1/20 0.34
PSMA3 P25788 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
SCHEMBL6711346 0.91 MEN1 (0.44) TSHRHPGDMEN1MAPK1KMT2A
SCHEMBL6712739 0.91 ALDH1A1 (0.40) TSHRHPGDMEN1MAPK1KMT2A
SCHEMBL6712599 0.90 CES2 (0.46) TSHRHPGDMEN1MAPK1KMT2A
SCHEMBL6712717 0.80 ALDH1A1 (0.40) TSHRHPGDMEN1MAPK1KMT2A
SCHEMBL6711516 0.80 MAPK14 (0.43) CES2CES1POLB
SCHEMBL6709920 0.78 MAPK14 (0.40) CES2CES1RAB9AMRGPRX1
SCHEMBL6710179 0.77 ALDH1A1 (0.44) TSHRMEN1KMT2ANPSR1CES2
SCHEMBL27673772 0.76 CES2 (0.74) TSHRHPGDMEN1MAPK1KMT2A
SCHEMBL27241209 0.72 MRGPRX1 (0.36) TSHRMEN1KMT2ANPSR1MAPT
SCHEMBL6716730 0.72 CYP11B2 (0.38) MEN1KMT2ARAB9A

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 TSHR 2499/4885HPGD 548/4885MEN1 3408/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 TSHR 2499/4885HPGD 548/4885MEN1 3408/4885

“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.