SCHEMBL1930611

SCHEMBL1930611

C=C(C)Cc1ccccc1Sc1ccccc1CC(=C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IFNAR1 P17181 1/20 0.42
LMNA P02545 5/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
SLC6A4 P31645 7/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A3 Q01959 2/20 0.41
P4HB P07237 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL6015464 0.82 MEN1 (0.40) ALDH1A1APOBEC3GMAPT
SCHEMBL5007260 0.77 ALDH1A1 (0.37) ALDH1A1APOBEC3GMAPT
SCHEMBL11061615 0.76 GABRA1 (0.52) LMNAALDH1A1HPGDMMP2MMP9
SCHEMBL18543737 0.74 CTBP2 (0.47) ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL16371621 0.74 MAPT (0.35) LMNAALDH1A1MAPT
SCHEMBL251843 0.74 AKR1B1 (0.56) MAPT
SCHEMBL6027916 0.73 TDP1 (0.58) ALDH1A1CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL4438683 0.72 CYP2C9 (0.69) LMNACYP2C9HPGDCYP2C19MMP2
SCHEMBL13689936 0.72 TAAR1 (0.44) LMNAALDH1A1CYP2C19MAPT
SCHEMBL20321552 0.72 FDPS (0.39) ALDH1A1HPGDSLC6A4SLC6A2SLC6A3

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
US-20110130482-A1 Process for preparing armatic thiophenyl ketones PRETOR ROGER 2011-06-02 US claimed
EP-1799638-B1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA HOLDING INC (CH) 2008-07-30 EP claimed
EP-1799638-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-06-27 EP claimed
WO-2006034966-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-04-06 WO claimed
US-20110130482-A1 Process for preparing armatic thiophenyl ketones PRETOR ROGER 2011-06-02 US disclosed
EP-1799638-B1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA HOLDING INC (CH) 2008-07-30 EP disclosed
EP-1799638-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-06-27 EP disclosed
WO-2006034966-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-04-06 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 (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-20110130482-A1 Process for preparing armatic thiophenyl ketones ACOT7, AGPAT2, COASY IFNAR1 4355/4885LMNA 4340/4885ALDH1A1 1816/4885

“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.