SCHEMBL16603261

SCHEMBL16603261

C=C(/C=C(C)\C(=C/NC)C1CCCC1)c1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ P2RX7 Q99572 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ SLC6A1 P30531 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ERCC5 P28715 1/20 0.32
▸ FEN1 P39748 1/20 0.32

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
SCHEMBL16603135 0.90 NPC1 (0.37) NPC1RAB9AP2RX7KMT2AMEN1
SCHEMBL16603136 0.83 MTNR1A (0.35) NPC1RAB9AALDH1A1HPGDLMNA
SCHEMBL16603224 0.82 NPC1 (0.35) NPC1RAB9AP2RX7KMT2AMEN1
SCHEMBL16627996 0.82 NPC1 (0.33) NPC1RAB9AP2RX7KMT2ASLC6A1
SCHEMBL16603299 0.82 NPC1 (0.33) NPC1RAB9AP2RX7KMT2AMEN1
SCHEMBL16441253 0.80 MAOA (0.38) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL16603169 0.79 NPC1 (0.33) NPC1RAB9AP2RX7KMT2AMEN1
SCHEMBL17545265 0.79 NPC1 (0.33) NPC1RAB9AP2RX7KMT2ASLC6A1
SCHEMBL16603300 0.77 NPC1 (0.39) NPC1RAB9AP2RX7KMT2AMEN1
SCHEMBL16603264 0.76 NPC1 (0.38) NPC1RAB9AP2RX7KMT2AMEN1

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 7 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
US-20160049599-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-02-18 — — US disclosed
US-20150097169-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-04-09 — — 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 (4 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-20160049599-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SRSF6, SRSF1, DBF4 NPC1 3849/4885RAB9A 1930/4885P2RX7 1397/4885
US-20170012223-A1 Organic Electroluminescent Materials and Devices EML4, MT-ND4L, MT-ND4 NPC1 3591/4885RAB9A 1992/4885P2RX7 856/4885
US-20160141522-A1 Organic Electroluminescent Materials and Devices EED, ICOSLG, OCIAD1 NPC1 4554/4885RAB9A 2936/4885P2RX7 706/4885
US-20160260913-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES EML4, TYR, L1CAM NPC1 4195/4885RAB9A 1340/4885P2RX7 1453/4885

“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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