SCHEMBL18531147

SCHEMBL18531147

C=C/C=C(\C)c1nccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.44
▸ CNR2 P34972 5/20 0.43
▸ PLAU P00749 2/20 0.41
▸ F12 P00748 1/20 0.41
▸ NCF1 P14598 1/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ TSHR P16473 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PLG P00747 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CFTR P13569 1/20 0.37
▸ GOPC Q9HD26 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ S100A4 P26447 1/20 0.35
▸ MAPT P10636 2/20 0.35

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
SCHEMBL18576588 0.84 CYP2A6 (0.52) CYP2A6CNR2PLAUF12NCF1
SCHEMBL20862876 0.83 CYP2A6 (0.43) CYP2A6CNR2PLAUF12NCF1
SCHEMBL8250524 0.78 CYP2A6 (0.52) CYP2A6CNR2PLAUF12NCF1
SCHEMBL18950546 0.77 CYP2A6 (0.44) CYP2A6CNR2PLAUF12NCF1
SCHEMBL25482213 0.75 CYP2A6 (0.53) CYP2A6CNR2PLAUF12NCF1
SCHEMBL18533190 0.75 PLAU (0.44) CYP2A6CNR2PLAUF12NCF1
SCHEMBL24549910 0.74 CYP2A6 (0.44) CYP2A6CNR2PLAUF12NCF1
SCHEMBL20363014 0.74 CNR2 (0.33) CYP2A6CNR2PLAURAB9APLG
SCHEMBL349832 0.74 CNR2 (0.56) CYP2A6CNR2PLAUF12NCF1
SCHEMBL29094378 0.74 RAB9A (0.49) CYP2A6CNR2PLAUF12NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10847727-B2 Compositions for electronic devices MERCK PATENT GMBH (DE) 2020-11-24 — — US disclosed
US-20200176693-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-06-04 — — US disclosed
US-10230060-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-03-12 — — US disclosed
US-20180145267-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2018-05-24 — — US disclosed
US-20170141328-A1 COMPOSITIONS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-05-18 — — US disclosed
US-9577201-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-02-21 — — 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 (5 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-20170141328-A1 COMPOSITIONS FOR ELECTRONIC DEVICES EFNA1, EPHA6, EPHB6 CYP2A6 1120/4885CNR2 3572/4885PLAU 2543/4885
US-20200176693-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES RUVBL2, TERT, OR10J3 CYP2A6 4349/4885CNR2 2725/4885PLAU 4062/4885
US-20180145267-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES PIEZO1, ORAI2, ICMT CYP2A6 4414/4885CNR2 4809/4885PLAU 635/4885
US-10847727-B2 Compositions for electronic devices EFNA1, EPHA6, EPHB6 CYP2A6 1120/4885CNR2 3572/4885PLAU 2543/4885
US-10230060-B2 Organic electroluminescent materials and devices RUVBL2, OR10J3, EML4 CYP2A6 3435/4885CNR2 2833/4885PLAU 4263/4885

“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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