SCHEMBL15096136

SCHEMBL15096136

Cc1ccc(-c2ccc(-c3ccc(C=C(C#N)C#N)s3)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
APP P05067 4/20 0.45
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
LMNA P02545 3/20 0.35
POLB P06746 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MAPK1 P28482 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
SCHEMBL2407500 0.86 APP (0.53) MAPTAPPALDH1A1MEN1KMT2A
SCHEMBL20621189 0.85 MAPT (0.46) MAPTAPPALDH1A1MEN1KMT2A
SCHEMBL15120762 0.85 MAPT (0.46) MAPTAPPALDH1A1MEN1KMT2A
SCHEMBL14930761 0.85 MAPT (0.46) MAPTAPPALDH1A1MEN1KMT2A
SCHEMBL15099537 0.84 APP (0.56) MAPTAPPALDH1A1LMNANPSR1
SCHEMBL16706031 0.83 KMT2A (0.48) MAPTAPPALDH1A1MEN1KMT2A
SCHEMBL17966395 0.81 APP (0.50) MAPTAPPALDH1A1MEN1KMT2A
SCHEMBL16532192 0.81 MAPT (0.51) MAPTAPPALDH1A1MEN1KMT2A
SCHEMBL14762765 0.80 MAPT (0.61) MAPTAPPALDH1A1MEN1KMT2A
SCHEMBL19073256 0.80 MAPT (0.37) MAPTAPPALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8890126-B2 Compound for optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC. (KR) 2014-11-18 US disclosed
US-20140193834-A1 BLOOD-BRAIN BARRIER PERMEABLE PEPTIDE COMPOSITIONS ICB INTERNATIONAL, INC. (US) 2014-07-10 US disclosed
US-20130177568-A1 BLOOD-BRAIN BARRIER PERMEABLE PEPTIDE COMPOSITIONS ICB INTERNATIONAL, INC. (US) 2013-07-11 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-20130177568-A1 BLOOD-BRAIN BARRIER PERMEABLE PEPTIDE COMPOSITIONS FCGR2A, VSIR, FCGR3B MAPT 28/4885APP 4/4885ALDH1A1 4799/4885

“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.