SCHEMBL16627767

SCHEMBL16627767

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MTNR1A P48039 1/20 0.34

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
SCHEMBL17518750 0.84 HPGD (0.38) MEN1KMT2AALDH1A1MAPK1TDP1
SCHEMBL18376077 0.82 CES1 (0.35) MEN1KMT2AALDH1A1MAPK1TDP1
SCHEMBL17518762 0.82 ATM (0.33) MEN1KMT2ACES2CES1ATM
SCHEMBL18376106 0.79 POLB (0.31) MAPTSMN1; SMN2RAB9AHPGDHTT
SCHEMBL16603162 0.79 MAPT (0.35) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL17643583 0.79 POLB (0.34) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL17541750 0.79 MAPT (0.33) ALDH1A1TDP1MAPTSMN1; SMN2RAB9A
SCHEMBL16441253 0.78 MAOA (0.38) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL17518761 0.78 MTNR1A (0.32) ALDH1A1SMN1; SMN2RAB9AHPGDLMNA
SCHEMBL16603136 0.78 MTNR1A (0.35) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD

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 5 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-20160093816-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-03-31 — — US disclosed
US-20160049597-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2016-02-18 — — US disclosed
US-20150295187-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-10-15 — — US disclosed
US-20150097169-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-04-09 — — 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 MEN1 2852/4885KMT2A 1588/4885ALDH1A1 1475/4885
US-20150295187-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MLX, LOXL4, LOXL1 MEN1 2352/4885KMT2A 2598/4885ALDH1A1 2956/4885
US-20160093816-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ACSL3, LUC7L2, L3MBTL3 MEN1 2874/4885KMT2A 4501/4885ALDH1A1 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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