SCHEMBL2070066

SCHEMBL2070066

CCCOc1cc(C(=O)OCC)c(=O)n2c(-c3c(C)cc(C)cc3C)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.51
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 4/20 0.43
▸ GLA P06280 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ THRB P10828 2/20 0.35

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
SCHEMBL4626153 0.82 KDM4E (0.36) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL2071743 0.82 KDM4E (0.58) KDM4EALDH1A1GAAGLAHPGD
Butane SCHEMBL4657238 0.81 KDM4E (0.57) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL2069234 0.80 KDM4E (0.50) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL2070951 0.80 KDM4E (0.52) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL2070173 0.79 KDM4E (0.48) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL2071119 0.78 KDM4E (0.50) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL4790464 0.75 KDM4E (0.46) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL11874935 0.70 KDM4E (0.50) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL11869130 0.67 KDM4E (0.44) KDM4EALDH1A1GAAGLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 — — EP disclosed
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 — — EP disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 — — US disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 — — US disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 — — US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 — — US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 — — US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 — — 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-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R KDM4E 3537/4885ALDH1A1 786/4885GAA 4637/4885

“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.

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