SCHEMBL3598779

SCHEMBL3598779

CCC(C)(C)C(=O)N(C(=O)N1CCc2ccc(OC(C)(C)C(=O)O)cc2C1)c1cc(C)c(O)c(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
NR1H2 P55055 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3599873 0.82 PTPN2 (0.34) KMT2AMEN1ESR1ESR2NR1H2
SCHEMBL3598780 0.68 RORC (0.34) RIPK1
SCHEMBL4875329 0.62 CNR1 (0.51) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL4874167 0.62 PPARA (0.54) MAPTNPSR1ALDH1A1L3MBTL1KDM4E
SCHEMBL2580108 0.59 ABCB1 (0.49) KMT2AMEN1HRH3ESR1ESR2
SCHEMBL5137232 0.59 HRH3 (0.58) KMT2ATSHRHRH3F10
SCHEMBL17821992 0.58 ESR1 (0.47) KMT2AMEN1TSHRCYP1A2CYP2C9
SCHEMBL31565939 0.58 RYR2 (0.47) HRH3ESR1ESR2
SCHEMBL5256841 0.58 PNMT (0.48) KMT2AMEN1TSHRCYP1A2CYP2C9
SCHEMBL7854911 0.58 ESR1 (0.70) HRH3PKMESR1ESR2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 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 (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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT ALOX5 692/4885KMT2A 343/4885MEN1 4401/4885

“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.