SCHEMBL1953902

SCHEMBL1953902

Cc1cccc(OC(=O)NCC2(C)CC(NC(=O)Oc3cccc(C)c3C)CC(C)(C)C2)c1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
EZH2 Q15910 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 2/20 0.34
EPHX1 P07099 1/20 0.34
USP2 O75604 1/20 0.34
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL30409767 1.00 TSHR (0.57) TSHREZH2KMT2AMEN1ALDH1A1
SCHEMBL15482368 0.95 TSHR (0.53) TSHREZH2KMT2AMEN1ALDH1A1
SCHEMBL15093963 0.93 TSHR (0.52) TSHREZH2KMT2AMEN1ALDH1A1
SCHEMBL29914217 0.93 TSHR (0.52) TSHREZH2KMT2AMEN1ALDH1A1
SCHEMBL982145 0.91 TSHR (0.59) TSHREZH2KMT2AMEN1TDP1
SCHEMBL29914212 0.91 TSHR (0.59) TSHREZH2KMT2AMEN1TDP1
SCHEMBL30409019 0.90 TSHR (0.58) TSHREZH2KMT2AMEN1TDP1
SCHEMBL1022340 0.88 TSHR (0.60) TSHREZH2GAATDP1THRB
SCHEMBL6526426 0.86 TSHR (0.55) TSHREZH2KMT2AMEN1GAA
SCHEMBL25176593 0.85 TSHR (0.54) TSHREZH2KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-09 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 (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-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 TSHR 4686/4885EZH2 2241/4885KMT2A 880/4885

“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.