SCHEMBL8913792

SCHEMBL8913792

N#Cc1cc(O)cc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.59
ESR1 P03372 7/20 0.59
NQO2 P16083 1/20 0.55
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
MPI P34949 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
GAA P10253 2/20 0.42
TRPM4 Q8TD43 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
CDC25B P30305 1/20 0.41

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
SCHEMBL29614953 1.00 ESR2 (0.59) ESR2ESR1NQO2KDM4EALDH1A1
SCHEMBL31588569 1.00 ESR2 (0.59) ESR2ESR1NQO2KDM4EALDH1A1
SCHEMBL29176673 0.83 ESR2 (0.54) ESR2ESR1NQO2KDM4EALDH1A1
SCHEMBL31588131 0.83 ESR2 (0.54) ESR2ESR1NQO2KDM4EALDH1A1
SCHEMBL27627326 0.80 ESR2 (0.73) ESR2ESR1
SCHEMBL29344478 0.80 NQO2 (0.55) ESR2ESR1NQO2KDM4EALDH1A1
SCHEMBL9098788 0.80 NQO2 (0.55) ESR2ESR1NQO2KDM4EALDH1A1
SCHEMBL29937378 0.80 NQO2 (0.55) ESR2ESR1NQO2KDM4EALDH1A1
SCHEMBL112288 0.78 ESR2 (0.49) ESR2ESR1CA1CA2
SCHEMBL23087824 0.78 NCOA3 (0.47) ESR2ESR1KDM4EALDH1A1NCOA3

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
CN-114206991-A Polymer flame retardant and method for producing same 克林格贝格产品公司 2022-03-18 CN claimed
CN-117736222-A MTA synergistic PRMT5 inhibitor compounds having tricyclic or tetracyclic ring structures 烨辉医药科技(上海)有限公司 2024-03-22 CN disclosed
CN-116903662-A Organic electroluminescent material and device 环球展览公司 2023-10-20 CN disclosed
US-20230337519-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 US disclosed
US-20230337519-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 US disclosed
CN-114206991-A Polymer flame retardant and method for producing same 克林格贝格产品公司 2022-03-18 CN disclosed
EP-0772798-A1 SPIRO INDOLINE- 2,3']-BENZOXAZINE]-TYPE PHOTOCHROMIC COMPOUNDS CONTAINING A 6'-CYANO OR PHENYLSULPHONYL GROUP AND WITH A 7', 8'-CONDENSED BENZENE RING IN THE BENZOXAZINE RING AND USE OF SAME IN OPHTHALMIC OPTICS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1997-05-14 EP disclosed
WO-1996004590-A1 SPIRO[INDOLINE-[2,3']-BENZOXAZINE]-TYPE PHOTOCHROMIC COMPOUNDS CONTAINING A 6'-CYANO OR PHENYLSULPHONYL GROUP AND WITH A 7', 8'-CONDENSED BENZENE RING IN THE BENZOXAZINE RING AND USE OF SAME IN OPHTHALMIC OPTICS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-02-15 WO 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-20230337519-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SSB, YBX3, LBR ESR2 346/4885ESR1 1420/4885NQO2 2937/4885

“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.