SCHEMBL251992

SCHEMBL251992

O=C(CCc1ccccc1)c1cccs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.69
LMNA P02545 2/20 0.69
RAB9A P51151 2/20 0.69
ALDH1A1 P00352 2/20 0.69
MEN1 O00255 1/20 0.69
POLB P06746 1/20 0.69
KMT2A Q03164 1/20 0.69
HPGD P15428 4/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
PKM P14618 1/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
HTT P42858 1/20 0.65
HSD17B10 Q99714 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.59
GPR52 Q9Y2T5 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
CTNNB1 P35222 4/20 0.55

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
SCHEMBL5904139 0.87 NPC1 (0.57) NPC1LMNARAB9AALDH1A1MEN1
SCHEMBL18906055 0.85 MEN1 (0.62) NPC1LMNARAB9AALDH1A1MEN1
SCHEMBL5914969 0.84 NPC1 (0.62) NPC1LMNARAB9AALDH1A1MEN1
Hydrochloric Acid SCHEMBL5914981 0.83 NPC1 (0.61) NPC1LMNARAB9AALDH1A1MEN1
SCHEMBL10746734 0.83 LMNA (0.51) NPC1LMNARAB9AALDH1A1MEN1
SCHEMBL2216212 0.82 ALDH1A1 (1.00) NPC1LMNARAB9AALDH1A1MEN1
Thiophene Carboxylic Acid SCHEMBL30172507 0.81 DAO (0.73) NPC1LMNARAB9AALDH1A1MEN1
SCHEMBL1515726 0.81 NPC1 (0.62) NPC1LMNARAB9AALDH1A1MEN1
SCHEMBL13987508 0.81 HPGD (0.58) NPC1LMNARAB9AALDH1A1MEN1
SCHEMBL15979661 0.80 ALDH1A1 (0.78) NPC1LMNARAB9AALDH1A1MEN1

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
CN-101605775-B Substituted 3-phenyl-1-(phenylthienyl)propan-1-one and 3-phenyl-1-(phenylfuranyl)propan-1-one derivatives, and preparation and use of same GENFIT FR 2014-11-12 CN disclosed
US-8088819-B2 Derivatives of substituted 3-phenyl-1-(phenylthienyl)propan-1-ones and of 3-phenyl-1-(phenylfuranyl) propan-1-ones, preparation and use GENFIT (FR) 2012-01-03 US disclosed
US-20100029745-A1 DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE GENFIT (FR) 2010-02-04 US disclosed
EP-2079722-A2 SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONE AND 3-PHENYL-1-(PHENYLFURANYL)PROPAN-1-ONE DERIVATIVES, AND PREPARATION AND USE OF SAME Genfit (FR) 2009-07-22 EP disclosed
WO-2008087366-A3 SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONE AND 3-PHENYL-1-(PHENYLFURANYL)PROPAN-1-ONE DERIVATIVES, AND PREPARATION AND USE OF SAME GENFIT (FR) 2008-10-23 WO disclosed
WO-2008087366-A2 SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONE AND 3-PHENYL-1-(PHENYLFURANYL)PROPAN-1-ONE DERIVATIVES, AND PREPARATION AND USE OF SAME GENFIT (FR) 2008-07-24 WO disclosed
US-5175294-A For treatment of bone disorders ADIR ET COMPAGNIE (FR) 1992-12-29 US disclosed
US-5061704-A PATHOLOGIES INVOLVING LOSS OF BONE TISSUE ADIR ET COMPAGNIE (FR) 1991-10-29 US disclosed
EP-0014440-A1 Ketal derivatives and the use thereof as intermediate products SAGAMI CHEMICAL RESEARCH CENTER (JP) 1980-08-20 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-20100029745-A1 DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE TPP1, NAT1, PGC NPC1 112/4885LMNA 1031/4885RAB9A 1914/4885

“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.