SCHEMBL2809016

SCHEMBL2809016

Cc1cc(-c2ccc(Oc3ccc(-c4ccc(O)c(C)c4)cc3C)c(C)c2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.53
HSD17B2 P37059 7/20 0.53
ESR2 Q92731 4/20 0.52
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FGFR1 P11362 1/20 0.45
PDE10A Q9Y233 1/20 0.43
ESR1 P03372 5/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
MCL1 Q07820 1/20 0.42
AR P10275 1/20 0.41

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
SCHEMBL14599496 0.86 HSD17B1 (0.52) HSD17B1HSD17B2ESR2TP53TDP1
SCHEMBL29429121 0.84 HSD17B1 (0.68) HSD17B1HSD17B2ESR2TP53TDP1
SCHEMBL26979937 0.84 HSD17B1 (0.68) HSD17B1HSD17B2ESR2TP53TDP1
SCHEMBL29696046 0.84 HSD17B1 (0.68) HSD17B1HSD17B2ESR2TP53TDP1
SCHEMBL272034 0.84 HSD17B1 (0.68) HSD17B1HSD17B2ESR2TP53TDP1
Hydrogen Sulfide SCHEMBL6269773 0.82 HSD17B1 (0.65) HSD17B1HSD17B2ESR2TP53TDP1
SCHEMBL3811825 0.82 HSD17B1 (0.72) HSD17B1HSD17B2ESR2TP53TDP1
Hydrogen Sulfide SCHEMBL22042810 0.82 HSD17B1 (0.65) HSD17B1HSD17B2ESR2TP53TDP1
SCHEMBL13589555 0.82 HSD17B1 (0.72) HSD17B1HSD17B2ESR2TP53TDP1
SCHEMBL21790498 0.81 HSD17B1 (0.47) HSD17B1HSD17B2ESR2TP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP disclosed
US-7556902-B2 Aromatic polyester resin, and electrophotographic photoconductor and image forming apparatus using thereof RICOH COMPANY, LTD. (JP) 2009-07-07 US disclosed
US-20060046169-A1 Aromatic polyester resin, and electrophotographic photoconductor and image forming apparatus using thereof RICOH COMPANY, LTD. (JP) 2006-03-02 US 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 (2 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B HSD17B1 603/4885HSD17B2 923/4885ESR2 2064/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 HSD17B1 360/4885HSD17B2 740/4885ESR2 3700/4885

“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.