SCHEMBL765859

SCHEMBL765859

CC(C)N1CC(C(=O)c2ccc(Cc3ccccc3)o2)=C(O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
POLB P06746 1/20 0.34
IDH1 O75874 1/20 0.33
HTT P42858 1/20 0.33
P2RX3 P56373 1/20 0.32
LMNA P02545 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GNRHR P30968 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL752004 0.90 ALDH1A1 (0.40) LIPGALDH1A1POLBHTTLMNA
SCHEMBL16921572 0.87 TYMP (0.35) ALDH1A1POLBHTTLMNAGNRHR
SCHEMBL755448 0.86 P2RX3 (0.41) LIPGALDH1A1POLBHTTP2RX3
SCHEMBL756456 0.85 LIPG (0.52) LIPG
SCHEMBL756751 0.84 NQO1 (0.36) IDH1P2RX3LMNAMAPT
SCHEMBL751193 0.84 PARP1 (0.33) ALDH1A1POLBLMNA
SCHEMBL765536 0.84 ALDH1A1 (0.36) ALDH1A1POLBIDH1LMNAMAPT
SCHEMBL752149 0.84 USP2 (0.34) ALDH1A1POLBHTTLMNAMAPT
SCHEMBL755472 0.83 LMNA (0.34) ALDH1A1POLBLMNAMAPTSMN1; SMN2
SCHEMBL753094 0.81 PDE10A (0.34) HTT

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 11 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-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 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 LIPG 3541/4885ALDH1A1 658/4885MAPK8 2999/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885ALDH1A1 424/4885MAPK8 2762/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885ALDH1A1 424/4885MAPK8 2762/4885

“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.