SCHEMBL3181549

SCHEMBL3181549

c1ccc(-c2cccc([N]c3cccc(-c4ccccc4)c3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MGLL Q99685 3/20 0.43
▸ HDAC8 Q9BY41 2/20 0.41
▸ KMO O15229 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ AGXT P21549 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FAAH O00519 1/20 0.38

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
SCHEMBL13179896 0.80 MAOA (0.44) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL29159713 0.80 MAOA (0.44) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL4392403 0.78 ALDH1A1 (0.53) ALDH1A1MGLLALOX5CYP3A4MEN1
SCHEMBL13754834 0.77 MAOA (0.41) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL17732365 0.77 MAOA (0.46) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL17454827 0.77 MGLL (0.42) MAOAALDH1A1MGLLHDAC8KMO
Biphenyl SCHEMBL11687528 0.76 ALDH1A1 (0.69) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL2401076 0.76 ALDH1A1 (0.69) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL31734209 0.76 ALDH1A1 (0.69) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL2731883 0.76 ALDH1A1 (0.69) MAOAALDH1A1MGLLHDAC8KMO

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-7659416-B2 Monomolecular conductive complex, conductive self-assembled film and assembly of electrode composed of metal and semiconductor making use of the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-09 — — US disclosed
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same TOKYO INSTITUTE OF TECHNOLOGY 2009-02-05 — — US disclosed
EP-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 — — EP disclosed
US-5792557-A ELECTROLUMINESCENCE; TETRAARYLDIAMINE DERIVATIVES; HIGH MELTING POINT; HIGH GLASS TRANSITION TEMPERATURE TDK CORPORATION (JP) 1998-08-11 — — 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 (1 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-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same CNTN1, GAP43, AP3M1 MAOA 273/4885ALDH1A1 3087/4885MGLL 4247/4885

“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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