Sugi Predict

Sugi Predict / Compounds / SCHEMBL2890685

SCHEMBL2890685

SCHEMBL2890685

CCOC(=O)/C=C(\C)C(OC)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GLO1 Q04760 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ SOAT1 P35610 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GALK1 P51570 1/20 0.33
▸ CCR6 P51684 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
SCHEMBL9189705 1.00 NPSR1 (0.48) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL2890687 1.00 NPSR1 (0.48) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL15482730 0.79 NPSR1 (0.52) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL10817869 0.78 NPSR1 (0.47) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL10817860 0.78 NPSR1 (0.47) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL16368732 0.78 NPSR1 (0.50) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL6343587 0.78 NPSR1 (0.50) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL21113184 0.78 NPSR1 (0.50) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL19964870 0.78 NPSR1 (0.50) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL5704742 0.76 NPSR1 (0.48) NPSR1HCAR2ALDH1A1LMNAHSD17B10

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4138289-A ASYMMETRIC HYDROGENATION BY MICROORGANISM, FERMENTATION HOFFMANN-LA ROCHE INC. (US) 1979-02-06 — — US claimed
EP-2212316-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 AstraZeneca AB (SE) 2010-08-04 — — EP disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 — — US disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 — — US disclosed
WO-2009054789-A1 1,2,3-TRIAZOLE PYRROLIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 — — WO disclosed
WO-2009054791-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 — — WO disclosed
US-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 — — US disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 — — US disclosed
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 — — WO disclosed
US-20090111822-A1 1,2,3-TRIAZOLE PYRROLIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 — — US disclosed
WO-2009054793-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 — — WO disclosed
EP-2027120-A2 MGLUR5 MODULATORS I AstraZeneca AB (SE) 2009-02-25 — — EP disclosed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 — — WO disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-4975454-A Triene compounds having a chromene structure ADIR ET COMPAGNIE (FR) 1990-12-04 — — US disclosed
US-4305876-A CULTURE PRODUCT INTERMEDIATE IN THE PREPARATION OF VITAMINS E AND K HOFFMANN-LA ROCHE, INC. (US) 1981-12-15 — — US disclosed
US-4138289-A ASYMMETRIC HYDROGENATION BY MICROORGANISM, FERMENTATION HOFFMANN-LA ROCHE INC. (US) 1979-02-06 — — 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 (5 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-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 NPSR1 238/4885HCAR2 153/4885ALDH1A1 4350/4885
US-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 NPSR1 365/4885HCAR2 265/4885ALDH1A1 4397/4885
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 NPSR1 453/4885HCAR2 316/4885ALDH1A1 4142/4885
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 NPSR1 369/4885HCAR2 245/4885ALDH1A1 4164/4885
US-20090111822-A1 1,2,3-TRIAZOLE PYRROLIDINE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 NPSR1 373/4885HCAR2 216/4885ALDH1A1 4369/4885

“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.