SCHEMBL2958769

SCHEMBL2958769

OCc1ccc2c(c1)oc1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
MAOA P21397 1/20 0.47
ECE1 P42892 2/20 0.47
MME P08473 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL10867585 0.90 MAOA (0.63) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2966131 0.89 CYP1A2 (0.60) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL19768725 0.82 CYP1A2 (0.57) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL10306815 0.81 AHR (0.53) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL30810814 0.81 AHR (0.53) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL27471710 0.79 KDM4E (0.41) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL19155292 0.79 AHR (0.52) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL8954237 0.79 CYP11B1 (0.45) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9764810 0.79 CYP1A2 (0.50) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL8674964 0.78 CA2 (0.41) MEN1KMT2AMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 US disclosed
EP-1735300-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2006-12-27 EP disclosed
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-26 US disclosed
US-7119214-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-10 US disclosed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US disclosed
WO-2005100345-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2005-10-27 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 (3 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-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A AHR 190/4885MEN1 3887/4885KMT2A 1455/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A AHR 190/4885MEN1 3887/4885KMT2A 1455/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A AHR 190/4885MEN1 3887/4885KMT2A 1455/4885

“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.