SCHEMBL765052

SCHEMBL765052

COc1ccccc1Cc1ccc(C(C)=O)o1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL27861559 0.87 KMT2A (0.47) KMT2AMEN1CYP1A2MAPTCYP2C19
SCHEMBL754516 0.85 FFAR4 (0.42) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL753321 0.83 HTT (0.43) KMT2AMEN1CYP1A2MAPTCYP2C19
SCHEMBL16921569 0.80 TYMP (0.46) MAPTSMN1; SMN2HTTALDH1A1POLB
SCHEMBL16925397 0.79 ALDH1A1 (0.42) KMT2AMEN1CYP1A2MAPTCYP2C19
SCHEMBL751294 0.77 HDAC1 (0.46) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL756355 0.76 LMNA (0.56) KMT2AMAPTHTTALDH1A1HPGD
SCHEMBL756114 0.75 HTT (0.46) SMN1; SMN2HTTALDH1A1POLB
SCHEMBL4252417 0.75 ALDH1A1 (0.59) KMT2AMEN1CYP1A2MAPTCYP2C19
SCHEMBL4676834 0.75 ALDH1A1 (0.60) KMT2ACYP1A2CYP2C19SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US 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

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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KMT2A 667/4885MEN1 4775/4885CYP1A2 875/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KMT2A 667/4885MEN1 4775/4885CYP1A2 875/4885

“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.