SCHEMBL5380681

SCHEMBL5380681

COc1ccccc1OCCN(Cc1ccccc1)CC(O)COc1cccc2c1c1ccccc1n2S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
HTR6 P50406 2/20 0.43
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 4/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
ADRB2 P07550 3/20 0.38
DRD2 P14416 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TLR4 O00206 1/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38

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
SCHEMBL7143716 0.81 HTR6 (0.43) POLBHTR6TSHRALDH1A1LMNA
SCHEMBL5375723 0.78 ADRB2 (0.62) POLBHTR6TSHRALDH1A1LMNA
SCHEMBL11080480 0.72 POLB (0.50) POLBTSHRALDH1A1LMNAGAA
SCHEMBL16550062 0.72 MAPT (0.44) HTR6TSHRALDH1A1LMNAGAA
SCHEMBL17946178 0.72 ADRB2 (0.58) HTR6LMNAGAAKMT2AMAPT
SCHEMBL13916263 0.71 POLB (0.49) POLBTSHRALDH1A1LMNAGAA
Methyl Alcohol SCHEMBL11168835 0.71 ALDH1A1 (0.53) POLBTSHRALDH1A1LMNAGAA
SCHEMBL11548958 0.70 POLB (0.57) POLBTSHRALDH1A1LMNAGAA
SCHEMBL4555826 0.70 ADRB2 (0.68) HTR6LMNAGAAKMT2AMAPT
SCHEMBL8277013 0.70 ADRB2 (0.68) HTR6LMNAGAAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169935-B2 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. (US) 2007-01-30 US claimed
US-20040127723-A1 Process for preparing heterocyclic indene analogs SCALONE MICHELANGELO (CH) 2004-07-01 US claimed
EP-1355880-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-29 EP claimed
WO-2002059089-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-01 WO claimed
US-20020099223-A1 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. 2002-07-25 US claimed
US-7169935-B2 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. (US) 2007-01-30 US disclosed
US-6777559-B2 CYCLOCARBONYLATING ACETIC ACID (OR BENZOIC ACID)-1-(1-BENZENESULFONYL-1H-INDOL-2-YL)-ALLYL ESTER TO OBTAIN 9-BENZENESULFONYL-9H-CARBAZOL-4-YL ESTER; SAPONIFYING HOFFMANN-LA ROCHE INC. 2004-08-17 US disclosed
US-20040127723-A1 Process for preparing heterocyclic indene analogs SCALONE MICHELANGELO (CH) 2004-07-01 US disclosed
EP-1355880-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-29 EP disclosed
WO-2002059089-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-01 WO disclosed
US-20020099223-A1 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. 2002-07-25 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 (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-20040127723-A1 Process for preparing heterocyclic indene analogs CYP3A4, CYP8B1, CYP51A1 POLB 446/4885HTR6 3297/4885TSHR 4611/4885
US-20020099223-A1 Process for preparing heterocyclic indene analogs CYP3A4, CYP8B1, CYP51A1 POLB 446/4885HTR6 3297/4885TSHR 4611/4885

“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.