SCHEMBL1955867

SCHEMBL1955867

CCCCCCCc1cccc(OC(=O)NCC2(C)CC(NC(=O)Oc3cccc(CCCCCCC)c3CCCCCCC)CC(C)(C)C2)c1CCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CNR1 P21554 5/20 0.37
CNR2 P34972 5/20 0.37
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
EPHX1 P07099 1/20 0.34
USP2 O75604 1/20 0.33
ELANE P08246 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 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
SCHEMBL29914201 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL29914159 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL29914196 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL29914178 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL1953362 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL1951903 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL1955419 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL1952588 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL1954266 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG
SCHEMBL29914195 1.00 TSHR (0.48) TSHRCNR1CNR2PPARAPPARG

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-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 4686/4885CNR1 400/4885CNR2 210/4885
US-20130178645-A1 Method for Producing Carbonyl Compund CA6, CPS1, C9 TSHR 4304/4885CNR1 1794/4885CNR2 1956/4885
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A TSHR 4410/4885CNR1 1777/4885CNR2 1205/4885

“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.