SCHEMBL10009512

SCHEMBL10009512

CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ncccn3)c3ccccc13)c1ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.32
▸ HTR2C P28335 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MLNR O43193 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31

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
SCHEMBL10009434 0.89 — —
SCHEMBL10009973 0.87 PDK2 (0.37) BRD4HTR2CCYP1A2PDK2
SCHEMBL15895825 0.83 BRD4 (0.41) BRD4HTR2C
SCHEMBL10009909 0.81 CYP2A6 (0.37) HTR2CCYP1A2CYP2C19KMT2AHTR1A
SCHEMBL13487058 0.80 PDK2 (0.32) PDK2
SCHEMBL10010024 0.80 PIM1 (0.36) ADRA1A
SCHEMBL13026458 0.79 — —
SCHEMBL10009840 0.79 CKS1B (0.36) KMT2A
SCHEMBL10009836 0.79 CCR1 (0.37) HTR2CKMT2AHTR2AHTR2B
SCHEMBL13487109 0.79 PIK3CA (0.32) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120091885-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Rohm and Haas Electronic Materials Korea Let. (KR) 2012-04-19 — — US disclosed
US-20120091885-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Rohm and Haas Electronic Materials Korea Let. (KR) 2012-04-19 — — US disclosed
WO-2010114266-A2 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS,LTD. (KR) 2010-10-07 — — 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-20120091885-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME OCIAD1, OCIAD2, ODC1 BRD4 653/4885HTR2C 4066/4885CYP1A2 1665/4885

“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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