SCHEMBL16930811

SCHEMBL16930811

NCCCc1ccc(C(N)=NC=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ TDP1 Q9NUW8 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAOA P21397 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ NOS3 P29474 2/20 0.35
▸ NOS1 P29475 2/20 0.35
▸ NOS2 P35228 2/20 0.35
▸ THRA P10827 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ AKT2 P31751 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 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
SCHEMBL16930810 1.00 ESR1 (0.41) ESR1CYP19A1ESR2TDP1KMT2A
SCHEMBL16930804 0.79 PRSS1 (0.48) NOS3NOS1L3MBTL1GRIN1GRIN2B
SCHEMBL4037830 0.74 PLA2G10 (0.52) ESR1CYP19A1ESR2TDP1KMT2A
SCHEMBL6797264 0.71 RARB (0.59) ESR1CYP19A1ESR2KMT2AMAOA
SCHEMBL16930801 0.71 CYP2D6 (0.48) TDP1KMT2AL3MBTL1
SCHEMBL7818542 0.71 F10 (0.63) ESR1CYP19A1ESR2ITGB3ITGA2B
SCHEMBL3678682 0.71 MAOA (0.62) ESR1CYP19A1ESR2TDP1KMT2A
Hydrochloric Acid SCHEMBL11111164 0.69 RARB (0.58) ESR1CYP19A1ESR2KMT2AMAOA
SCHEMBL1687951 0.69 HSD17B10 (0.65) ESR1CYP19A1ESR2KMT2ATHRA
Hydrochloric Acid SCHEMBL8173497 0.69 F10 (0.61) ESR1CYP19A1ESR2ITGB3ITGA2B

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-9716235-B2 9,10-bis[2-(p-substituted phenyl)pyrimidin-4-yl] anthracene compounds, methods of preparing the same, organic electroluminescent devices and organic electroluminescent display apparatus BOE TECHNOLOGY GROUP CO., LTD. (CN) 2017-07-25 — — US disclosed
US-20150214487-A1 9,10-Bis[2-(p-substituted phenyl)pyrimidin-4-yl] Anthracene Compounds, Methods of Preparing the Same, Organic Electroluminescent Devices and Organic Electroluminescent Display Apparatus BOE TECHNOLOGY GROUP CO., LTD. (CN) 2015-07-30 — — 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-20150214487-A1 9,10-Bis[2-(p-substituted phenyl)pyrimidin-4-yl] Anthracene Compounds, Methods of Preparing the Same, Organic Electroluminescent Devices and Organic Electroluminescent Display Apparatus P2RY10, P2RY4, APRT ESR1 535/4885CYP19A1 2123/4885ESR2 1165/4885

“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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