SCHEMBL7769015

SCHEMBL7769015

COc1sc2ccccc2c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPK1 P28482 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 7/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 4/20 0.46
GPR3 P46089 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALOX5 P09917 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42

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
SCHEMBL31536922 0.82 ALOX5 (0.39) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL13713800 0.79 GPR3 (0.46) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL22366331 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL31536923 0.78 GPR3 (0.44) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL30557573 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL25383926 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL6408883 0.73 CNR2 (0.44) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL10421946 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL8323182 0.73 TUBB4A (0.48) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL5440971 0.73 GPR3 (0.40) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022002077-A1 ARYL AROMATIC HETEROCYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海海和药物研究开发股份有限公司 2022-01-06 WO disclosed
US-9206201-B2 Boronic acid bearing liphagane compounds as inhibitors of P13K-α and/or β COUNSEL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-08 US disclosed
US-20150051173-A1 BORONIC ACID BEARING LIPHAGANE COMPOUNDS AS INHIBITORS OF P13K- a AND/OR B COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-02-19 US disclosed
EP-0693488-B1 An improved process for preparing 3-(4-aminoethoxy-benzoyl)benzo beta -thiophenes LILLY CO ELI (US) 2001-09-19 EP disclosed
US-5994547-A Process for preparing benzo[b]thiophenes ELI LILLY AND COMPANY (US) 1999-11-30 US disclosed
EP-0875511-A1 Demethylation process for preparing benzo[b]thiophenes ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed
US-5523416-A Process for preparing 3-(4-aminoethoxy-benzoyl) benzo (B)-thiophenes ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed
EP-0693488-A1 An improved process for preparing 3-(4-aminoethoxy-benzoyl)benzo beta -thiophenes ELI LILLY AND COMPANY (US) 1996-01-24 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 (1 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-20150051173-A1 BORONIC ACID BEARING LIPHAGANE COMPOUNDS AS INHIBITORS OF P13K- a AND/OR B PIK3CA, PIK3C2A, PI4KA ALDH1A1 3574/4885KDM4E 985/4885MAPK1 53/4885

“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.