SCHEMBL753752

SCHEMBL753752

CC1(c2ccco2)OCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
TP53 P04637 1/20 0.36
CHRM1 P11229 1/20 0.35
KIF11 P52732 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.31
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL28622348 0.76
SCHEMBL27699292 0.72 HCAR2 (0.33) HCAR2TP53CHRM1KIF11L3MBTL1
SCHEMBL13992792 0.71 ALDH1A1 (0.38) HCAR2TP53CHRM1KIF11L3MBTL1
SCHEMBL6768722 0.71 HCAR2 (0.35) HCAR2TP53CHRM1KIF11L3MBTL1
SCHEMBL27362980 0.70 CHRM1 (0.36) HCAR2CHRM1KIF11L3MBTL1OPRM1
SCHEMBL13992800 0.70 SLC6A4 (0.38) HCAR2TP53CHRM1KIF11L3MBTL1
SCHEMBL28572553 0.69 HCAR2 (0.31) HCAR2OPRM1OPRD1OPRK1OPRL1
SCHEMBL972902 0.67 SMN1; SMN2 (0.32) L3MBTL1MEN1KMT2AOPRM1OPRD1
SCHEMBL972903 0.66 MAPT (0.31) MAPT
SCHEMBL27667589 0.66 HCAR2 (0.38) HCAR2MAPTMEN1ALDH1A1POLB

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 34 patents — showing the first 20. 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-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-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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
WO-2010143158-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 WO disclosed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed
EP-1242426-B1 GAMMA-HYDROXY-2-(FLUOROALKYLAMINOCARBONYL)-1-PIPERAZINEPENTANAMIDES AS HIV PROTEASE INHIBITORS MERCK & CO INC (US) 2007-10-31 EP disclosed
US-5665763-A ANTIPICORNAVIRAL AGENTS SANOFI, S.A. (FR) 1997-09-09 US disclosed
US-5567717-A COMBATTING PICORNAVIRUSES STERLING WINTHROP, INC. (US) 1996-10-22 US disclosed
US-5514679-A TREATMENT OF PICORNAVIRUS INFECTIONS STERLING WINTHROP INC. (US) 1996-05-07 US disclosed
WO-1995031439-A1 THERAPEUTIC PHENOXYALKYLPYRIDAZINES AND INTERMEDIATES THEREFOR SANOFI WINTHROP, INC. (US) 1995-11-23 WO 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 HCAR2 3877/4885TP53 948/4885CHRM1 4282/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HCAR2 3877/4885TP53 948/4885CHRM1 4282/4885

“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.