SCHEMBL9070503

SCHEMBL9070503

CCCCCCCCC1CN1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.48
SPHK1 Q9NYA1 2/20 0.47
GUSB P08236 1/20 0.47
ALDH1A1 P00352 2/20 0.46
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 3/20 0.44
S1PR2 O95136 2/20 0.44
S1PR4 O95977 2/20 0.44
S1PR5 Q9H228 2/20 0.44
GLB1 P16278 4/20 0.44
GBA2 Q9HCG7 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX1 P07099 1/20 0.43
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL19837679 1.00 GBA1 (0.48) GBA1SPHK1GUSBALDH1A1S1PR1
SCHEMBL11870431 1.00 GBA1 (0.48) GBA1SPHK1GUSBALDH1A1S1PR1
SCHEMBL3411264 1.00 GBA1 (0.48) GBA1SPHK1GUSBALDH1A1S1PR1
SCHEMBL2233321 1.00
SCHEMBL27892522 0.97 GBA1 (0.47) GBA1SPHK1GUSBALDH1A1S1PR1
SCHEMBL1463931 0.97
SCHEMBL294556 0.91 GBA1 (0.43) GBA1SPHK1GUSBALDH1A1S1PR1
SCHEMBL14621071 0.89
SCHEMBL1031928 0.89
SCHEMBL7127893 0.89

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
CN-104428331-B Active energy beam polymer resin composition and the laminated body for using the resin combination 东洋油墨SC控股株式会社 2019-02-15 CN disclosed
US-20170267694-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND GILEAD PHARMASSET LLC 2017-09-21 US disclosed
EP-0387567-B1 Amphoteric polyelectrolyte, method for production thereof, and organic sludge dehydrater NIPPON CATALYTIC CHEM IND (JP) 1996-05-01 EP disclosed
US-5284909-A Emulsion polymerizing anionic monomer or mixture with nonionic monomer in water, surfactant, hydrophobic solvent with free radical catalyst, reacting polymer with alkylenimine, acidifying with monobasic acid NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) 1994-02-08 US disclosed
US-5194515-A Addition polymerization of acrylic acid with other monomers and modified with alkylene imine by aminoalkylation NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) 1993-03-16 US disclosed
EP-0387567-A2 Amphoteric polyelectrolyte, method for production thereof, and organic sludge dehydrater NIPPON SHOKUBAI CO., LTD. (JP) 1990-09-19 EP disclosed
US-3953391-A ALKYLENEIMINE-MODIFIED ACRYLIC COPOLYMERSACID PPG INDUSTRIES, INC. (US) 1976-04-27 US 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 (1 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-20170267694-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND HAVCR2, IFNAR1, ZC3HAV1 GBA1 277/4885SPHK1 4532/4885GUSB 4723/4885

“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.