SCHEMBL4277948

SCHEMBL4277948

[CH]1c2ccccc2-c2cccc(-c3ccc4ccccc4c3)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.48
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ESR2 Q92731 2/20 0.40
ESR1 P03372 1/20 0.40
DHFR P00374 1/20 0.39
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MIF P14174 1/20 0.38
MET P08581 1/20 0.36
MAOB P27338 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP1A2 P05177 3/20 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
SCHEMBL5078563 0.77 GSTP1 (0.43) GSTP1HDAC4HDAC2HDAC8HSD17B1
SCHEMBL216861 0.77 ALDH1A1 (0.44) HDAC4HDAC2HDAC8ADORA2AADORA1
SCHEMBL4722189 0.76 ALDH1A1 (0.37) KDM4ECYP1A2ALDH1A1HPGDTSHR
SCHEMBL28030821 0.76 GSTP1 (0.46) GSTP1HDAC4HDAC2HDAC8HSD17B1
SCHEMBL28508645 0.76 GSTP1 (0.70) GSTP1HDAC4HDAC2HDAC8HSD17B1
SCHEMBL30491158 0.76 GSTP1 (0.70) GSTP1HDAC4HDAC2HDAC8HSD17B1
SCHEMBL2969427 0.76 ADORA3 (0.39) KDM4EALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6571167 0.75 MAOB (0.40) METMAOBADORA2AADORA1ALDH1A1
SCHEMBL4470390 0.74 GSTP1 (0.41) GSTP1HDAC4HDAC2HDAC8HSD17B1
SCHEMBL3176171 0.74 GSTP1 (0.61) GSTP1HDAC4HDAC2HDAC8HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615660-B2 Production process of alkoxy-titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-10 US disclosed
US-20080306293-A1 Production Process of Alkoxy-Titanium Complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-11 US disclosed
EP-1845101-A1 METHOD FOR PRODUCING ALKOXYTITANIUM COMPLEX Sumitomo Chemical Company, Limited (JP) 2007-10-17 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-20080306293-A1 Production Process of Alkoxy-Titanium Complex ABL1, H1-10, ALK GSTP1 3143/4885HDAC4 2429/4885HDAC2 2002/4885

“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.