SCHEMBL997530

SCHEMBL997530

CCOC(=O)N(CC)c1ccc(C)c(N(CC)C(=O)OCC)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
HTT P42858 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL997440 0.82 ALDH1A1 (0.42) TSHRCTDSP1LMNAMEN1KMT2A
SCHEMBL9815790 0.81 TSHR (0.39) TSHRHTTCTDSP1LMNAMEN1
SCHEMBL25306059 0.80 ALDH1A1 (0.49) TSHRCTDSP1LMNAMEN1KMT2A
SCHEMBL9224528 0.80 TSHR (0.50) TSHRHTTCTDSP1MEN1KMT2A
SCHEMBL10965817 0.79 MEN1 (0.42) TSHRHTTLMNAMEN1KMT2A
SCHEMBL9139083 0.78 TSHR (0.58) TSHRHTTCTDSP1LMNAALDH1A1
SCHEMBL28802321 0.78 TSHR (0.52) TSHRHTTCTDSP1LMNAKMT2A
SCHEMBL27901771 0.78 TSHR (0.49) TSHRHTTLMNAKMT2ACYP3A4
SCHEMBL10710710 0.77 TSHR (0.57) TSHRHTTCTDSP1LMNAKMT2A
SCHEMBL996210 0.76 LMNA (0.51) TSHRCTDSP1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809574-B2 Method for preparing isocyanates by liquid-phase thermal cracking LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2014-08-19 US disclosed
US-20110021810-A1 METHOD FOR PREPARING ISOCYANATES BY LIQUID-PHASE THERMAL CRACKING LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2011-01-27 US disclosed
EP-0143320-B1 METHOD FOR THE PREPARATION OF ISOCYANATES BY THERMAL DECOMPOSITION OF URETHANES BASF Aktiengesellschaft (DE) 1988-01-20 EP disclosed
US-4613466-A ZINC OR ALLOY CATALYST FOR THERMAL CLEAVAGE OF URETHANES BASF AKTIENGESELLSCHAFT (DE) 1986-09-23 US disclosed
EP-0100047-B1 PROCESS FOR THE PREPARATION OF HEXAMETHYLENE DIISOCYANATE-1,6 AND/OR OF THE ISOMERIC DIISOCYANATES WITH 6 CARBON ATOMS IN THE ALKYL GROUP BASF Aktiengesellschaft (DE) 1986-02-12 EP disclosed
EP-0078005-B1 METHOD FOR THE PREPARATION OF ISOCYANATES BY PYROLYSIS OF URETHANES BASF Aktiengesellschaft (DE) 1985-08-07 EP disclosed
US-4530796-A Vapor phase pyrolysis BASF AKTIENGESELLSCHAFT (DE) 1985-07-23 US disclosed
EP-0143320-A2 Method for the preparation of isocyanates by thermal decomposition of urethanes BASF Aktiengesellschaft (DE) 1985-06-05 EP disclosed
US-4482499-A IN THE PRESENCE OF CARBON BASF AKTIENGESELLSCHAFT (DE) 1984-11-13 US disclosed
EP-0100047-A1 Process for the preparation of hexamethylene diisocyanate-1,6 and/or of the isomeric diisocyanates with 6 carbon atoms in the alkyl group BASF Aktiengesellschaft (DE) 1984-02-08 EP disclosed
EP-0078005-A1 Method for the preparation of isocyanates by pyrolysis of urethanes BASF Aktiengesellschaft (DE) 1983-05-04 EP disclosed
US-4349484-A Process for the manufacture of mixtures of diphenylmethane diisocyanates and polyphenyl polymethylene polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 1982-09-14 US disclosed
US-4330479-A ZINC OR ALUMINUM CATALYST BASF AKTIENGESELLSCHAFT (DE) 1982-05-18 US disclosed
US-4290970-A Process for the manufacture of aromatic di- and/or polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 1981-09-22 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-20110021810-A1 METHOD FOR PREPARING ISOCYANATES BY LIQUID-PHASE THERMAL CRACKING DBI, CCNI, DGKI TSHR 4586/4885HTT 257/4885CTDSP1 1028/4885

“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.