Sugi Predict

Sugi Predict / Compounds / SCHEMBL649480

SCHEMBL649480

SCHEMBL649480

C=CCCCCOC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ USP2 O75604 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ RECQL P46063 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 2/20 0.51
▸ LPAR3 Q9UBY5 2/20 0.47
▸ LPAR2 Q9HBW0 1/20 0.47
▸ TSHR P16473 4/20 0.45
▸ ABCC4 O15439 1/20 0.43
▸ CHRM5 P08912 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ PGR P06401 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40

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
SCHEMBL8463541 0.98 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL592903 0.98 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL816892 0.98 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL2836294 0.98 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL2837462 0.98 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL2841007 0.98 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL2837141 0.98 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL2838417 0.98 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL585734 0.98 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA
SCHEMBL2839053 0.98 CYP3A4 (0.56) CYP3A4MAPTUSP2SMN1; SMN2LMNA

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 258 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109320559-B Nickel-palladium metal complex, preparation method and application thereof, product and application thereof 东华大学 2020-10-30 — — CN claimed
CN-107955088-B Catalyst, preparation method thereof, composition prepared from catalyst and application of composition 东华大学 2020-05-05 — — CN claimed
CN-107602734-B A kind of palladium-containing catalyst, preparation method, composition as made from it and application 东华大学 2019-10-18 — — CN claimed
CN-106349294-B Aniline anthraquinone late transition metal complex and the preparation method and application thereof 东华大学 2019-04-12 — — CN claimed
CN-109320559-A NiPdAu metal complex and preparation method thereof, application, the application of product and product 东华大学 2019-02-12 — — CN claimed
CN-107955088-A A kind of catalyst, its preparation method, by its obtained composition and application 东华大学 2018-04-24 — — CN claimed
CN-107602734-A A kind of palladium-containing catalyst, its preparation method, by its obtained composition and application 东华大学 2018-01-19 — — CN claimed
EP-3129347-A1 REACTIONS IN THE PRESENCE OF RUTHENIUM COMPLEXES California Institute of Technology (US) 2017-02-15 — — EP claimed
CN-106349294-A Aniline anthraquinone late transition metal compound and preparation method and application thereof 东华大学 2017-01-25 — — CN claimed
WO-2015157736-A1 REACTIONS IN THE PRESENCE OF RUTHENIUM COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-10-15 — — WO claimed
US-20130231499-A1 SYNTHESIS OF Z-OLEFIN-CONTAINING LEPIDOPTERAN INSECT PHEROMONES CALIFORNIA INSTITUTE OF TECHNOLOGY 2013-09-05 — — US claimed
CN-100528829-C Metathesis synthesis of pheromones or components thereof R L PEDERSON R H GRUBBS (US) 2009-08-19 — — CN claimed
EP-1230207-B1 METATHESIS SYNTHESES OF PHEROMONES OR THEIR COMPONENTS PEDERSON RICHARD L (US) 2005-06-22 — — EP claimed
US-6696597-B2 CROSS-METATHESIZING A TERMINAL OLEFIN AND INTERNAL OLEFIN IN PRESENCE OF CATALYST, TO FORM METATHESIS PRODUCT AND A SIDE PRODUCT; APPLYING CONDITIONS OF SUFFICIENTLY HIGH TEMPERATURE AND/OR LOW PRESSURE TO EVAPORTE SIDE PRODUCT TILLIECHEM, INC. 2004-02-24 — — US claimed
CN-1423629-A Metathesis synthesis of pheromones or components thereof PEDERSON R L (US) 2003-06-11 — — CN claimed
EP-1230207-A2 METATHESIS SYNTHESES OF PHEROMONES OR THEIR COMPONENTS Pederson, Richard L. (US) 2002-08-14 — — EP claimed
US-20020022741-A1 Metathesis syntheses of pheromones or their components MATERIA, INC. 2002-02-21 — — US claimed
WO-2001036368-A2 METATHESIS SYNTHESES OF PHEROMONES OR THEIR COMPONENTS PEDERSON RICHARD L (US) 2001-05-25 — — WO claimed
US-6215019-B1 SELF-METATHESIZING 1-HEXENE USING GRUBBS' CATALYST; CROSS-METATHESIZING PRODUCT WITH ALCOHOL OR ACETATE-PROTECTED HEXENE TILLIECHEM, INC. 2001-04-10 — — US claimed
US-4233230-A Process for preparing olefins by metathesis of cyclic olefins with acyclic olefins RHONE-POULENC INDUSTRIES (FR) 1980-11-11 — — US claimed

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-20130231499-A1 SYNTHESIS OF Z-OLEFIN-CONTAINING LEPIDOPTERAN INSECT PHEROMONES ZYX, OSBP, ZDHHC7 CYP3A4 752/4885MAPT 3448/4885USP2 3855/4885

“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.