SCHEMBL16617843

SCHEMBL16617843

C=C(C)c1c(OC)cc(OC)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
USP2 O75604 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.44
ALDH1A1 P00352 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAPT P10636 1/20 0.41
ERN1 O75460 1/20 0.41
CYP1A2 P05177 1/20 0.39

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
SCHEMBL16018015 0.88 CYP3A4 (0.49) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL24737164 0.88 CYP3A4 (0.68) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL3930018 0.80 ALDH1A1 (0.40) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL31164538 0.79 TUBB4A (0.41) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL25189210 0.79 LTA4H (0.47) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL16389267 0.79 CYP3A4 (0.57) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL24146231 0.77 CYP3A4 (0.48) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL18793123 0.77 CYP3A4 (0.55) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL2029772 0.77 CYP3A4 (0.78) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL9112690 0.77 CYP3A4 (0.50) CYP3A4USP2MAPK1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593060-B2 Compounds for enhancing generation of chemical species TOYO GOSEI CO., LTD (JP) 2017-03-14 US disclosed
US-9593060-B2 Compounds for enhancing generation of chemical species TOYO GOSEI CO., LTD (JP) 2017-03-14 US disclosed
US-9593060-B2 Compounds for enhancing generation of chemical species TOYO GOSEI CO., LTD (JP) 2017-03-14 US disclosed
US-9567277-B2 Reagent for enhancing generation of chemical species TOYO GOSEI CO., LTD. (JP) 2017-02-14 US disclosed
US-20150140493-A1 COMPOUNDERS FOR ENHANCING GENERATION OF CHEMICAL SPECIES TOYO GOSEI CO., LTD (JP) 2015-05-21 US disclosed
US-20150140493-A1 COMPOUNDERS FOR ENHANCING GENERATION OF CHEMICAL SPECIES TOYO GOSEI CO., LTD (JP) 2015-05-21 US disclosed
US-20150140493-A1 COMPOUNDERS FOR ENHANCING GENERATION OF CHEMICAL SPECIES TOYO GOSEI CO., LTD (JP) 2015-05-21 US disclosed
US-20150099893-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES OSAKA UNIVERSITY (JP) 2015-04-09 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 (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-20150099893-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES PPOX, CYBB, CBR3 CYP3A4 520/4885USP2 2279/4885MAPK1 2552/4885
US-20150140493-A1 COMPOUNDERS FOR ENHANCING GENERATION OF CHEMICAL SPECIES GFER, MEP1A, PPOX CYP3A4 843/4885USP2 2667/4885MAPK1 402/4885

“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.