SCHEMBL765804

SCHEMBL765804

CCCCOc1c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)[nH]n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 5/20 0.36
FAAH O00519 1/20 0.36
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
ASAH1 Q13510 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
LTA4H P09960 1/20 0.33
PLA2G2A P14555 1/20 0.33

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
SCHEMBL755371 0.85 SMN1; SMN2 (0.40) ALDH1A1POLBCYP1A2CYP2D6CYP2C9
SCHEMBL765090 0.81 ALDH1A1 (0.40) ALDH1A1NPSR1CNR2POLBCYP1A2
SCHEMBL16925458 0.77 ALDH1A1 (0.35) ALDH1A1NPSR1CNR2FAAHPOLB
SCHEMBL17922032 0.75 FAAH (0.36) ALDH1A1CNR2FAAHPOLBCYP1A2
SCHEMBL16925511 0.75 BRAF (0.37) ALDH1A1NPSR1CNR2FAAHPOLB
SCHEMBL12206821 0.74 FAAH (0.36) ALDH1A1NPSR1CNR2FAAHPOLB
SCHEMBL16925318 0.74 TDP1 (0.40) CNR2FAAHPOLBHPGDLTA4H
SCHEMBL16925316 0.74 FAAH (0.36) ALDH1A1CNR2FAAHPOLBCYP1A2
SCHEMBL16925405 0.73 FAAH (0.35) ALDH1A1CNR2FAAHPOLBCYP1A2
SCHEMBL16925320 0.73 DNMT1 (0.38) ALDH1A1CNR2FAAHPOLBCYP1A2

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 4 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-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
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 424/4885NPSR1 4131/4885CNR2 3965/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885NPSR1 4131/4885CNR2 3965/4885

“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.