SCHEMBL17853617

SCHEMBL17853617

c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccc(-c4cccnc4)c4ccccc34)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ CYP2C9 P11712 4/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GLA P06280 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38

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
SCHEMBL17853615 0.97 MAPK14 (0.42) CYP11B1CYP19A1CYP2C9CYP1A2CYP3A4
SCHEMBL17853620 0.93 CYP11B1 (0.42) CYP11B1CYP19A1CYP2C9CYP1A2CYP3A4
SCHEMBL26431892 0.89 CYP19A1 (0.44) CYP11B1CYP19A1CYP2C9CYP1A2CYP3A4
SCHEMBL17853612 0.88 DHODH (0.48) CYP11B1CYP19A1CYP2C9CYP1A2CYP3A4
SCHEMBL19397671 0.88 DHODH (0.48) CYP11B1CYP19A1CYP2C9CYP1A2CYP3A4
SCHEMBL17853603 0.88 DHODH (0.48) CYP11B1CYP19A1CYP2C9CYP1A2CYP3A4
SCHEMBL17853641 0.88 SLC2A1 (0.42) CYP11B1CYP19A1CYP2C9CYP1A2CYP3A4
SCHEMBL17853621 0.87 KMO (0.42) CYP11B1CYP19A1CYP2C9CYP1A2CYP3A4
SCHEMBL24787760 0.87 DHODH (0.43) CYP11B1CYP19A1CYP2C9CYP1A2CYP3A4
SCHEMBL26432100 0.87 MAPT (0.40) CYP11B1CYP19A1CYP2C9CYP1A2CYP3A4

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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — 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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, SLC39A11 CYP11B1 2679/4885CYP19A1 482/4885CYP2C9 1009/4885

“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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