SCHEMBL1954170

SCHEMBL1954170

CCc1cccc(OC(=O)NCC2(C)CC(NC(=O)Oc3cccc(CC)c3CC)CC(C)(C)C2)c1CC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
EPHX1 P07099 1/20 0.38
USP2 O75604 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
MEN1 O00255 2/20 0.31
POLB P06746 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
HCRTR2 O43614 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
SCHEMBL29914175 1.00 TSHR (0.55) TSHREPHX1USP2TDP1HSD17B10
SCHEMBL15482341 0.94 TSHR (0.50) TSHREPHX1USP2TDP1HSD17B10
SCHEMBL989495 0.91 TSHR (0.58) TSHREPHX1USP2TDP1HSD17B10
SCHEMBL29914180 0.89 TSHR (0.52) TSHREPHX1USP2TDP1RAB9A
SCHEMBL1954415 0.89 TSHR (0.52) TSHREPHX1USP2TDP1RAB9A
SCHEMBL29914174 0.88 TSHR (0.50) TSHREPHX1USP2TDP1BCHE
SCHEMBL1953093 0.88 TSHR (0.50) TSHREPHX1USP2TDP1BCHE
SCHEMBL1022247 0.87 TSHR (0.59) TSHREPHX1USP2TDP1RAB9A
SCHEMBL1953408 0.87 TSHR (0.49) TSHREPHX1USP2BCHEACHE
SCHEMBL29914186 0.87 TSHR (0.49) TSHREPHX1USP2BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2679575-B1 PROCESS FOR PRODUCING CARBONYL COMPOUNDS ASAHI CHEMICAL IND (JP) 2019-04-10 EP disclosed
US-9714215-B2 Method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-07-25 US disclosed
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-25 US disclosed
US-8957241-B2 Method for producing carbonyl compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-17 US disclosed
US-20130178645-A1 Method for Producing Carbonyl Compund ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-07-11 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 4686/4885EPHX1 1711/4885USP2 1302/4885
US-20130178645-A1 Method for Producing Carbonyl Compund CA6, CPS1, C9 TSHR 4304/4885EPHX1 2061/4885USP2 169/4885
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A TSHR 4410/4885EPHX1 2066/4885USP2 196/4885

“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.