SCHEMBL16603155

SCHEMBL16603155

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.31
▸ MAOB P27338 3/20 0.31
▸ TDP1 Q9NUW8 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ MEN1 O00255 3/20 0.30
▸ KMT2A Q03164 3/20 0.30
▸ GAA P10253 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ ATM Q13315 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ DEGS1 O15121 1/20 0.30
▸ NPSR1 Q6W5P4 2/20 0.30
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL17177622 0.79 MAOA (0.37) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL15290758 0.74 ALDH1A1 (0.32) MAOAMAOBTDP1ALDH1A1MAPK1
SCHEMBL16627767 0.74 MEN1 (0.38) TDP1ALDH1A1MAPK1CES2CES1
SCHEMBL21745877 0.73 MAOA (0.33) MAOAMAOBTDP1ALDH1A1MAPK1
SCHEMBL15290752 0.72 MAOA (0.33) MAOAMAOBTDP1ALDH1A1MAPK1
SCHEMBL20037284 0.69 KDM1A (0.42) TDP1ALDH1A1MAPK1CES2CES1
SCHEMBL18376077 0.68 CES1 (0.35) MAOAMAOBTDP1ALDH1A1MAPK1
SCHEMBL17518762 0.68 ATM (0.33) MAOAMAOBCES2CES1MEN1
SCHEMBL1637841 0.66 MTNR1A (0.42) TDP1ALDH1A1MAPK1CES2CES1
SCHEMBL8331470 0.66 NFE2L2 (0.43) TDP1ALDH1A1MAPK1CES2CES1

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-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
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 (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 MAOA 1566/4885MAOB 1968/4885TDP1 4523/4885
US-20150295187-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MLX, LOXL4, LOXL1 MAOA 533/4885MAOB 275/4885TDP1 3939/4885
US-20160093816-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ACSL3, LUC7L2, L3MBTL3 MAOA 840/4885MAOB 444/4885TDP1 3984/4885

“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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