SCHEMBL21032641

SCHEMBL21032641

C=CC(=O)N/C=C(\C=C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TGM2 P21980 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31

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
SCHEMBL14038073 0.83 TSHR (0.37) TSHRALDH1A1
SCHEMBL25065108 0.81 TSHR (0.35) TSHRALDH1A1
SCHEMBL22197406 0.77 TSHR (0.38) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL24874220 0.75 TSHR (0.31) TSHR
SCHEMBL8517998 0.74 TSHR (0.42) TSHRALDH1A1MAPK1TDP1
SCHEMBL9850665 0.72
SCHEMBL18563486 0.72
SCHEMBL21104862 0.70 ZDHHC20 (0.47) ZDHHC20ZDHHC2
SCHEMBL18559508 0.70 TSHR (0.31) TSHR
SCHEMBL21646811 0.70 TSHR (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464891-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICALS CO., LTD. (JP) 2019-11-05 US disclosed
US-20190161445-A1 Urea Derivative Or Pharmacologically Acceptable Salt Thereof KYORIN SEIYAKU KK (JP) 2019-05-30 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-10464891-B2 Urea derivative or pharmacologically acceptable salt thereof FPR1, FPR2, FPR3 TSHR 1014/4885ALDH1A1 2202/4885MAPK1 577/4885
US-20190161445-A1 Urea Derivative Or Pharmacologically Acceptable Salt Thereof FPR1, FPR2, FPR3 TSHR 1014/4885ALDH1A1 2202/4885MAPK1 577/4885

“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.