SCHEMBL1023766

SCHEMBL1023766

CCC(C)(C)c1ccc(OC(=O)NCC2(C)CC(NC(=O)Oc3ccc(C(C)(C)CC)cc3C(C)(C)CC)CC(C)(C)C2)c(C(C)(C)CC)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MEN1 O00255 3/20 0.40
MAPK1 P28482 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
UBE2N P61088 2/20 0.32
GLA P06280 1/20 0.32
MITF O75030 1/20 0.32
RRM1 P23921 1/20 0.32
SIRT2 Q8IXJ6 2/20 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
SCHEMBL1023565 0.95 TSHR (0.46) TSHRMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL1026429 0.88 TSHR (0.53) TSHRMEN1MAPK1KMT2ATDP1
SCHEMBL1952531 0.85 TSHR (0.55) TSHRMEN1KMT2ATDP1MAPT
SCHEMBL1023566 0.85 MEN1 (0.39) TSHRMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL1022837 0.84 TSHR (0.49) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1022938 0.82 TSHR (0.48) TSHRMAPK1TDP1HTT
SCHEMBL1021098 0.80 TSHR (0.53) TSHRKMT2AALDH1A1TDP1HTT
SCHEMBL2923735 0.80 TSHR (0.46) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1021773 0.78 TSHR (0.55) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL1953136 0.77 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145358-B2 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) 2015-09-29 US disclosed
US-20140194644-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) 2014-07-10 US disclosed
US-8053595-B2 Process for producing isocyanates ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-11-08 US disclosed
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
EP-2088137-B1 A PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORP (JP) 2011-01-12 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 (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-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 4686/4885MEN1 1225/4885MAPK1 4376/4885
US-20140194644-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 4686/4885MEN1 1225/4885MAPK1 4376/4885

“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.