SCHEMBL17177477

SCHEMBL17177477

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CHRM2 P08172 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ RGS12 O14924 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ HTR2A P28223 1/20 0.33

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
SCHEMBL17228466 0.80 MAOA (0.36) MEN1KMT2AHPGDRAB9A
SCHEMBL15290758 0.78 ALDH1A1 (0.32) SMN1; SMN2NPSR1LMNAMAPTXBP1
SCHEMBL15290749 0.78 MAOA (0.32) SMN1; SMN2NPSR1LMNAMAPTXBP1
SCHEMBL17740841 0.76 SMN1; SMN2 (0.34) SMN1; SMN2NPSR1LMNAMAPTXBP1
SCHEMBL17228462 0.74 ATM (0.42) SMN1; SMN2LMNAMAPTATMCYP3A4
SCHEMBL17643542 0.74 SMN1; SMN2 (0.35) SMN1; SMN2NPSR1LMNAMAPTXBP1
SCHEMBL16603172 0.70 MTNR1A (0.33) SMN1; SMN2LMNAALDH1A1HPGDHTT
SCHEMBL15290755 0.69 MEN1 (0.35) SMN1; SMN2NPSR1LMNAMAPTXBP1
SCHEMBL16603133 0.69 MAOA (0.31) SMN1; SMN2NPSR1LMNAMAPTXBP1
SCHEMBL16603268 0.69 ATM (0.31) SMN1; SMN2NPSR1LMNAMAPTXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315222-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-11-05 — — US disclosed
US-20150295187-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-10-15 — — 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-20150315222-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MLX, SSB, RPS4X SMN1; SMN2 2235/4885NPSR1 996/4885LMNA 164/4885
US-20150295187-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MLX, LOXL4, LOXL1 SMN1; SMN2 2970/4885NPSR1 3291/4885LMNA 155/4885

“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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