SCHEMBL19732830

SCHEMBL19732830

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
TSHR P16473 4/20 0.53
MAPK1 P28482 3/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
BLM P54132 2/20 0.53
ATM Q13315 2/20 0.53
HIF1A Q16665 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ALOX15 P16050 2/20 0.53
GMNN O75496 1/20 0.53
GABBR2 O75899 1/20 0.53
TP53 P04637 1/20 0.53
CYP2C9 P11712 1/20 0.53
NFKB1 P19838 1/20 0.53
CYP2C19 P33261 1/20 0.53
PMP22 Q01453 1/20 0.53

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
SCHEMBL19732828 0.90 CYP2C9 (0.49) ALDH1A1TSHRMAPK1LMNAMEN1
SCHEMBL19732832 0.87 HSPA5 (0.55) ALDH1A1TSHRMAPK1LMNAMEN1
SCHEMBL11308767 0.76 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1LMNAMEN1
SCHEMBL42656 0.76 ALDH1A1 (0.64) ALDH1A1TSHRMAPK1LMNAMEN1
SCHEMBL20982016 0.75 ALDH1A1 (0.51) ALDH1A1TSHRMAPK1LMNAMEN1
SCHEMBL2674900 0.75 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1LMNAMEN1
SCHEMBL8639335 0.75 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1LMNAMEN1
Ethylene SCHEMBL3949822 0.74 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1LMNAMEN1
Ethylene SCHEMBL3947796 0.74 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1LMNAMEN1
Hydrazine SCHEMBL29155863 0.74 GAA (0.53) ALDH1A1TSHRMAPK1LMNAMEN1

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 4 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
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
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 ALDH1A1 3839/4885TSHR 3691/4885MAPK1 3143/4885

“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.