SCHEMBL14331577

SCHEMBL14331577

COc1cc(OC)cc(-n2c3ccncc3c3c4ccc5ccc(-c6ccccc6)c6ccc(cc32)c4c56)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MGAT2 Q10469 1/20 0.38
▸ METAP2 P50579 1/20 0.37
▸ CYP11B1 P15538 4/20 0.36
▸ CYP11B2 P19099 4/20 0.36
▸ CYP17A1 P05093 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ DGAT2 Q96PD7 7/20 0.36
▸ G6PD P11413 1/20 0.35
▸ HASPIN Q8TF76 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL14330549 0.94 MGAT2 (0.35) MGAT2METAP2CYP11B1CYP11B2CYP17A1
SCHEMBL14331578 0.92 MGAT2 (0.38) MGAT2METAP2CYP11B1CYP11B2CYP17A1
SCHEMBL14330583 0.86 MGAT2 (0.35) MGAT2METAP2CYP11B1CYP11B2CYP17A1
SCHEMBL14330548 0.84 TNF (0.36) TNFHASPINCYP19A1
SCHEMBL14331586 0.83 GPBAR1 (0.39) METAP2CYP11B1CYP11B2TNFHPGD
SCHEMBL14330536 0.82 KDM4E (0.35) METAP2TNFHASPINHPGD
SCHEMBL14331584 0.82 TOP1 (0.40) METAP2HPGDTSHR
SCHEMBL14330551 0.81 TNF (0.38) CYP11B1CYP11B2CYP17A1CYP3A4TNF
SCHEMBL14330566 0.81 GPBAR1 (0.34) METAP2TNFHPGD
SCHEMBL14330557 0.81 TNF (0.33) TNF

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-8623521-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-07 — — US disclosed
US-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — 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-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D MGAT2 2806/4885METAP2 3997/4885CYP11B1 842/4885

“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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