SCHEMBL757095

SCHEMBL757095

CC(=O)c1ccc(Cc2cccc3c2OCO3)o1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.43
KDM4C Q9H3R0 1/20 0.39
FAAH O00519 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
MT-CO2 P00403 1/20 0.36
ALKBH1 Q13686 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL756564 0.77 LIPG (0.38) KDM4C
SCHEMBL755472 0.74 LMNA (0.34) MTNR1AKDM4CFAAHSMN1; SMN2MEN1
SCHEMBL16921569 0.74 TYMP (0.46) HTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL751294 0.73 HDAC1 (0.46) MTNR1ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL6998774 0.73 MTNR1A (0.51) MTNR1AKDM4CFAAHSMN1; SMN2MT-CO2
SCHEMBL756355 0.73 LMNA (0.56) HTTALDH1A1MAPTKMT2ANPSR1
SCHEMBL27606174 0.72 SMN1; SMN2 (0.32) KDM4CFAAHSMN1; SMN2MEN1ALDH1A1
SCHEMBL765052 0.70 KMT2A (0.48) MTNR1AHTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL2602430 0.70 EED (0.46) MTNR1AKDM4CFAAHSMN1; SMN2
SCHEMBL11100920 0.70 CYP3A4 (0.55) MTNR1AKDM4CFAAHSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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 (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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT MTNR1A 2806/4885KDM4C 334/4885FAAH 3575/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MTNR1A 1749/4885KDM4C 353/4885FAAH 3354/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MTNR1A 1749/4885KDM4C 353/4885FAAH 3354/4885

“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.