SCHEMBL16603136

SCHEMBL16603136

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ RAB9A P51151 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALOX12 P18054 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
SCHEMBL17518761 0.89 MTNR1A (0.32) MTNR1AMTNR1BALDH1A1HPGDKCNK3
SCHEMBL16603261 0.83 NPC1 (0.40) ALDH1A1HPGDLMNARAB9ANPC1
SCHEMBL17759090 0.81 MTNR1A (0.33) MTNR1AMTNR1BPOLBRAB9AGAA
SCHEMBL17759091 0.80 LMNA (0.32) MTNR1AMTNR1BHPGDLMNARAB9A
SCHEMBL16603298 0.80 MTNR1A (0.31) MTNR1AMTNR1B
SCHEMBL16603263 0.78 LMNA (0.32) MTNR1AMTNR1BHPGDLMNARAB9A
SCHEMBL16627767 0.78 MEN1 (0.38) MTNR1AMTNR1BALDH1A1HPGDLMNA
SCHEMBL16603172 0.75 MTNR1A (0.33) MTNR1AMTNR1BALDH1A1HPGDKCNK3
SCHEMBL17518737 0.74 MTNR1A (0.33) MTNR1AMTNR1BALDH1A1HPGDKCNK3
SCHEMBL16603135 0.73 NPC1 (0.37) ALDH1A1HPGDRAB9ANPC1

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-20160211469-A1 ORGANIC LIGHT EMITTING MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2016-07-21 — — US disclosed
US-20160093816-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-03-31 — — US disclosed
US-20150090981-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-04-02 — — 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 (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-20170012223-A1 Organic Electroluminescent Materials and Devices EML4, MT-ND4L, MT-ND4 MTNR1A 3860/4885MTNR1B 3873/4885ALDH1A1 1475/4885
US-20160093816-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ACSL3, LUC7L2, L3MBTL3 MTNR1A 2393/4885MTNR1B 2276/4885ALDH1A1 1306/4885

“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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