SCHEMBL13877232

SCHEMBL13877232

CC(C)C1CCc2c(c3ccccc3n2C)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MAOA P21397 2/20 0.43
▸ RB1 P06400 1/20 0.43
▸ HTR5A P47898 3/20 0.42
▸ ADRA1A P35348 1/20 0.40

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
SCHEMBL16559077 0.79 HTR2A (0.53) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL16559076 0.79 HTR2A (0.53) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL6529682 0.79 HTR2A (0.53) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL7406719 0.79 HTR2A (0.53) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL7412311 0.78 HTR6 (0.61) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL23876062 0.78 DRD2 (0.62) HTR2AHTR2CCYP2D6KDM4EMAOA
SCHEMBL18070796 0.77 HTR2A (0.50) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL21088785 0.77 RB1 (0.51) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL10743921 0.75 HTR2A (0.49) HTR2AHTR2CCYP1A2CYP2D6KDM4E
SCHEMBL14492880 0.73 HTR2A (0.47) HTR2AHTR2CCYP1A2CYP2D6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9523031-B2 Organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-20 — — US disclosed
US-20090091240-A1 COMPOUND CONTAINING FUSED RING AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-04-09 — — US disclosed
US-20090091240-A1 COMPOUND CONTAINING FUSED RING AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-04-09 — — US disclosed
US-20070224448-A1 Organic Electroluminescent Device IDEMITSU KOSAN CO., LTD. (JP) 2007-09-27 — — US disclosed
US-20070224448-A1 Organic Electroluminescent Device IDEMITSU KOSAN CO., LTD. (JP) 2007-09-27 — — US disclosed
US-20070190355-A1 Material for organic electroluminescence device and organic electroluminescence device utilizing the same IDEMITSU KOSAN CO., LTD (JP) 2007-08-16 — — US disclosed
US-20070190355-A1 Material for organic electroluminescence device and organic electroluminescence device utilizing the same IDEMITSU KOSAN CO., LTD (JP) 2007-08-16 — — US disclosed
EP-1808433-A1 COMPOUND CONTAINING FUSED RING AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN COMPANY LIMITED (JP) 2007-07-18 — — EP disclosed
US-20070009760-A1 Coordination metal compound, material for organic electroluminescence device, material for luminescent coating formation and organic electroluminescence device INOUE TETSUYA 2007-01-11 — — US disclosed
US-20070009760-A1 Coordination metal compound, material for organic electroluminescence device, material for luminescent coating formation and organic electroluminescence device INOUE TETSUYA 2007-01-11 — — 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-20090091240-A1 COMPOUND CONTAINING FUSED RING AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME INTS9, KCNN2, KCNH3 HTR2A 2570/4885HTR2C 1590/4885CYP1A2 1307/4885

“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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