SCHEMBL765090

SCHEMBL765090

Cn1[nH]c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)c(O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
LIPG Q9Y5X9 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
IDO1 P14902 1/20 0.32
GAA P10253 1/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL765804 0.81 ALDH1A1 (0.38) ALDH1A1POLBLIPGNPSR1CNR2
SCHEMBL755371 0.80 SMN1; SMN2 (0.40) ALDH1A1POLBMEN1KMT2ACYP1A2
SCHEMBL753324 0.79 ALDH1A1 (0.42) ALDH1A1POLBLIPGNPSR1MEN1
SCHEMBL754971 0.78 LIPG (0.55) ALDH1A1POLBLIPGNPSR1MEN1
SCHEMBL754619 0.76 POLB (0.39) ALDH1A1POLBNPSR1CNR2GPR55
SCHEMBL27777099 0.72 LIPG (0.43) ALDH1A1POLBLIPGNPSR1CNR2
SCHEMBL752899 0.71 LIPG (0.51) ALDH1A1POLBLIPGLMNATSHR
SCHEMBL752064 0.71 POLB (0.41) ALDH1A1POLBLIPGNPSR1CNR2
SCHEMBL752416 0.71 POLB (0.39) ALDH1A1POLBLIPGNPSR1KMT2A
SCHEMBL754588 0.71 ALDH1A1 (0.39) ALDH1A1POLBLIPGMEN1KMT2A

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 8 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
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
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 ALDH1A1 424/4885POLB 107/4885LIPG 4229/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885POLB 107/4885LIPG 4229/4885

“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.