SCHEMBL18903834

SCHEMBL18903834

C=C/C=C(\C)c1nccc2occc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ DRD1 P21728 1/20 0.32
▸ FADS1 O60427 1/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ CYP1B1 Q16678 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
SCHEMBL18911162 0.83 HTR2C (0.37) HTR2CTRPA1DRD1FADS1HTR2B
SCHEMBL20124907 0.81 TRPA1 (0.35) HTR2CTRPA1
SCHEMBL21134630 0.78 ALDH1A1 (0.36) HTR2CTRPA1DRD1FADS1HTR2B
SCHEMBL18903869 0.78 CYP1A1 (0.31) CYP1B1
SCHEMBL18531147 0.73 CYP2A6 (0.44) ALDH1A1LMNA
SCHEMBL18911271 0.72 TRPA1 (0.39) HTR2CTRPA1DRD1FADS1HTR2B
SCHEMBL12985283 0.69 KDM4E (0.43) HTR2CTRPA1FADS1ALDH1A1
SCHEMBL19390678 0.69 TRPA1 (0.40) HTR2CTRPA1DRD1
SCHEMBL31426140 0.68 L3MBTL1 (0.44) HTR2CTRPA1DRD1FADS1HTR2A
SCHEMBL9109490 0.68 HTR2C (0.36) HTR2CTRPA1DRD1FADS1HTR2A

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-20170155065-A1 ORGANIC METAL COMPOUND, ORGANIC LIGHT-EMITTING DEVICES EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-06-01 — — US disclosed
EP-3173418-A1 ORGANIC METAL COMPOUND, ORGANIC LIGHT-EMITTING DEVICES EMPLOYING THE SAME Industrial Technology Research Institute (TW) 2017-05-31 — — EP 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 (2 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-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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