SCHEMBL17759091

SCHEMBL17759091

C=C(/C=C(CC(C)C)\C(=C/NC)C1CCCC1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.32
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ RECQL P46063 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
SCHEMBL16603263 0.91 LMNA (0.32) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL16603299 0.85 NPC1 (0.33) RAB9A
SCHEMBL16603298 0.84 MTNR1A (0.31) MTNR1AMTNR1B
SCHEMBL17518764 0.81 MAPT (0.34) LMNACYP1A2CYP2D6CYP3A4HPGD
SCHEMBL16603136 0.80 MTNR1A (0.35) LMNAMTNR1AMTNR1BHPGDRAB9A
SCHEMBL17759090 0.80 MTNR1A (0.33) MTNR1AMTNR1BRAB9A
SCHEMBL16627960 0.79 MAPT (0.33) LMNAHPGD
SCHEMBL17541750 0.79 MAPT (0.33) LMNAHPGDRAB9A
SCHEMBL17518761 0.78 MTNR1A (0.32) LMNAMTNR1AMTNR1BHPGDRAB9A
SCHEMBL16603169 0.76 NPC1 (0.33) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170012223-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2017-01-12 — — US disclosed
US-20160260913-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-09-08 — — US disclosed
US-20160211469-A1 ORGANIC LIGHT EMITTING MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2016-07-21 — — US disclosed
US-20160141522-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-05-19 — — 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-20170012223-A1 Organic Electroluminescent Materials and Devices EML4, MT-ND4L, MT-ND4 LMNA 2180/4885CYP1A2 585/4885CYP2D6 1524/4885
US-20160141522-A1 Organic Electroluminescent Materials and Devices EED, ICOSLG, OCIAD1 LMNA 4380/4885CYP1A2 1392/4885CYP2D6 2091/4885
US-20160260913-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES EML4, TYR, L1CAM LMNA 2703/4885CYP1A2 977/4885CYP2D6 1709/4885

“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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