SCHEMBL19732828

SCHEMBL19732828

C=C(CO)Cc1cc(C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.49
CYP2C19 P33261 4/20 0.49
CYP1A2 P05177 3/20 0.49
ALDH1A1 P00352 9/20 0.44
TSHR P16473 4/20 0.44
HIF1A Q16665 4/20 0.44
MAPK1 P28482 3/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GMNN O75496 1/20 0.44
GABBR2 O75899 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44

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
SCHEMBL19732830 0.90 ALDH1A1 (0.53) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL19732832 0.81 HSPA5 (0.55) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL8994600 0.81 CYP1A2 (0.49) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL18033833 0.80 ALDH1A1 (0.35) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL31193211 0.79 CYP2C9 (0.59) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL1785592 0.79 CYP2C9 (0.59) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL4815659 0.78 CYP1A2 (0.46) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL8091848 0.78 CYP2C9 (0.57) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
Methane SCHEMBL11048033 0.77 CYP1A2 (0.45) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL39353 0.77 CYP2C9 (0.61) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR

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
EP-3260461-B1 PHOSPHITE COMPOUND, METHOD FOR PRODUCING THE SAME AND USES THEREOF SUMITOMO CHEMICAL CO (JP) 2019-10-16 EP disclosed
EP-3260461-B1 PHOSPHITE COMPOUND, METHOD FOR PRODUCING THE SAME AND USES THEREOF SUMITOMO CHEMICAL CO (JP) 2019-10-16 EP disclosed
US-9902747-B2 Phosphite compound, method for producing the same and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-27 US disclosed
US-9902747-B2 Phosphite compound, method for producing the same and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-27 US disclosed
US-9902747-B2 Phosphite compound, method for producing the same and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-27 US disclosed
US-20180002359-A1 PHOSPHITE COMPOUND, METHOD FOR PRODUCING THE SAME AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-04 US disclosed
US-20180002359-A1 PHOSPHITE COMPOUND, METHOD FOR PRODUCING THE SAME AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-04 US disclosed
EP-3260461-A1 PHOSPHITE COMPOUND, METHOD FOR PRODUCING THE SAME AND USES THEREOF Sumitomo Chemical Company, Ltd. (JP) 2017-12-27 EP 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-20180002359-A1 PHOSPHITE COMPOUND, METHOD FOR PRODUCING THE SAME AND USES THEREOF PHOSPHO1, AGPS, PLCG1 CYP2C9 1725/4885CYP2C19 2050/4885CYP1A2 3239/4885

“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.