SCHEMBL18911162

SCHEMBL18911162

C/C=C(\C)c1nccc2occc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ DRD1 P21728 3/20 0.34
▸ FADS1 O60427 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ NTRK1 P04629 1/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ SSTR4 P31391 1/20 0.30
▸ PHGDH O43175 1/20 0.30

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
SCHEMBL21134630 0.83 ALDH1A1 (0.36) HTR2CTRPA1DRD1FADS1ALDH1A1
SCHEMBL18903834 0.83 HTR2C (0.34) HTR2CTRPA1DRD1FADS1ALDH1A1
SCHEMBL18911271 0.77 TRPA1 (0.39) HTR2CTRPA1DRD1FADS1CNR2
SCHEMBL12985283 0.74 KDM4E (0.43) HTR2CTRPA1FADS1ALDH1A1CNR2
SCHEMBL31426140 0.72 L3MBTL1 (0.44) HTR2CTRPA1DRD1FADS1ALDH1A1
SCHEMBL18576588 0.70 CYP2A6 (0.52) ALDH1A1LMNACNR2
SCHEMBL20124907 0.70 TRPA1 (0.35) HTR2CTRPA1NTRK1
SCHEMBL9109490 0.69 HTR2C (0.36) HTR2CTRPA1DRD1FADS1CNR2
SCHEMBL11625851 0.69 HTR2C (0.43) HTR2CTRPA1DRD1FADS1ALDH1A1
SCHEMBL2757287 0.69 HTR2C (0.47) HTR2CTRPA1DRD1FADS1CNR2

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-10340466-B2 Organic metal compound, organic light-emitting devices employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-07-02 — — US disclosed
US-20170155063-A1 ORGANIC METAL COMPOUND, ORGANIC LIGHT-EMITTING DEVICES EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-06-01 — — US disclosed
US-20170155065-A1 ORGANIC METAL COMPOUND, ORGANIC LIGHT-EMITTING DEVICES EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-06-01 — — 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 (3 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-20170155063-A1 ORGANIC METAL COMPOUND, ORGANIC LIGHT-EMITTING DEVICES EMPLOYING THE SAME C5, C9, C1S HTR2C 1495/4885TRPA1 37/4885DRD1 118/4885
US-10340466-B2 Organic metal compound, organic light-emitting devices employing the same OR10J3, C1S, C5 HTR2C 1233/4885TRPA1 57/4885DRD1 45/4885
US-20170155065-A1 ORGANIC METAL COMPOUND, ORGANIC LIGHT-EMITTING DEVICES EMPLOYING THE SAME OR10J3, C1S, C5 HTR2C 1233/4885TRPA1 57/4885DRD1 45/4885

“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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