SCHEMBL2885322

SCHEMBL2885322

COc1ccc[c]c1-c1[c]cccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA12 O43570 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA4 P22748 1/20 0.50
ALDH1A1 P00352 5/20 0.41
TP53 P04637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL2372578 0.85 APP (0.47) CA1CA2CA7CA9CA12
SCHEMBL1274782 0.85 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL7454339 0.82 CA12 (0.38) CA1CA2CA7CA9CA12
SCHEMBL6188780 0.82 CA12 (0.41) CA1CA2CA7CA9CA12
SCHEMBL8089505 0.82 CA12 (0.38) CA1CA2CA7CA9CA12
SCHEMBL3941441 0.80 RPS6KB2 (0.46) ALDH1A1TP53MAPK1KDM4ELMNA
SCHEMBL16719856 0.80 SMN1; SMN2 (0.41) CA1CA2CA7CA9CA12
SCHEMBL8124307 0.80 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL28621595 0.80 ALDH1A1 (0.38) CA1CA2CA7CA9CA12
SCHEMBL2027163 0.79 APP (0.46) CA1CA2CA7CA9CA12

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114669333-B Catalyst system and catalytic method for catalyzing decarbonylation hydrogenation of alpha-quaternary carbon aldehyde 中山大学 2023-06-23 CN claimed
EP-1078923-B1 Process for the preparation of benzothiophene derivatives HOFFMANN LA ROCHE (CH) 2006-03-08 EP claimed
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 claimed
US-20040127723-A1 Process for preparing heterocyclic indene analogs SCALONE MICHELANGELO (CH) 2004-07-01 US claimed
US-20020099223-A1 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. 2002-07-25 US claimed
US-20020010345-A1 Methods for the preparation of 4-hydroxy benzothiophene JUNGHANS BERND (DE) 2002-01-24 US claimed
US-6291685-B1 REACTING 1-(2-THIENYL)ALLYL DERIVATIVE IN SOLVENT MEDIUM CONTAINING BASE AND CARBOXYLIC ACID ANHYDRIDE WITH CARBON MONOXIDE IN PRESENCE OF CARBONYLATION CATALYST TO FORM ESTER COMPOUND; SAPONIFICATION TO FORM 4-HYDROXYBENZOTHIOPHENE HOFFMANN-LA ROCHE INC. 2001-09-18 US claimed
EP-1078923-A2 Process for the preparation of benzothiophene derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-02-28 EP claimed
US-5600015-A USING RUTHENIUM COMPLEX OF OPTICALLY ACTIVE ATROPISOMERIC DIPHOSPHINE LIGAND AS HYDROGENATION CATALYST HOFFMANN-LA ROCHE INC. (US) 1997-02-04 US claimed
CN-114669333-B Catalyst system and catalytic method for catalyzing decarbonylation hydrogenation of alpha-quaternary carbon aldehyde 中山大学 2023-06-23 CN disclosed
US-7847126-B2 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2010-12-07 US disclosed
US-20070299273-A1 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2007-12-27 US disclosed
US-7230136-B2 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2007-06-12 US disclosed
US-7169935-B2 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. (US) 2007-01-30 US disclosed
US-6437144-B2 CYCLOCARBONYLATION HOFFMANN-LA ROCHE INC. 2002-08-20 US disclosed
US-20020099223-A1 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. 2002-07-25 US disclosed
US-20020077488-A1 Methods for the preparation of 4-hydroxy benzothiophene JUNGHANS BERND (DE) 2002-06-20 US disclosed
US-20020010345-A1 Methods for the preparation of 4-hydroxy benzothiophene JUNGHANS BERND (DE) 2002-01-24 US disclosed
US-6291685-B1 REACTING 1-(2-THIENYL)ALLYL DERIVATIVE IN SOLVENT MEDIUM CONTAINING BASE AND CARBOXYLIC ACID ANHYDRIDE WITH CARBON MONOXIDE IN PRESENCE OF CARBONYLATION CATALYST TO FORM ESTER COMPOUND; SAPONIFICATION TO FORM 4-HYDROXYBENZOTHIOPHENE HOFFMANN-LA ROCHE INC. 2001-09-18 US disclosed
EP-1078923-A2 Process for the preparation of benzothiophene derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-02-28 EP 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 (4 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-20020077488-A1 Methods for the preparation of 4-hydroxy benzothiophene SLC5A2, SLC5A1, TST CA1 3154/4885CA2 881/4885CA7 529/4885
US-20040127723-A1 Process for preparing heterocyclic indene analogs CYP3A4, CYP8B1, CYP51A1 CA1 2292/4885CA2 3190/4885CA7 1108/4885
US-20020099223-A1 Process for preparing heterocyclic indene analogs CYP3A4, CYP8B1, CYP51A1 CA1 2292/4885CA2 3190/4885CA7 1108/4885
US-20020010345-A1 Methods for the preparation of 4-hydroxy benzothiophene SLC5A2, TST, SLC5A1 CA1 1873/4885CA2 624/4885CA7 310/4885

“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.