SCHEMBL86296

SCHEMBL86296

Cc1ccc2c(c1)C(=O)c1ccccc1SC2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.50
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
BRCA1 P38398 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 4/20 0.36
HPGD P15428 3/20 0.36
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36

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
SCHEMBL86293 0.84 EDNRB (0.41) ELANEEDNRBEDNRAALDH1A1KMT2A
SCHEMBL86389 0.80 MAPT (0.39) EDNRBEDNRAALDH1A1KMT2AMAPT
SCHEMBL91674 0.80 EDNRB (0.41) EDNRBEDNRAALDH1A1MAPTMAPK1
SCHEMBL18012178 0.75 ACHE (0.41) ELANEALDH1A1KMT2AMEN1HPGD
SCHEMBL67625 0.72 ACHE (0.44) ELANEKMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL68578 0.69 ACHE (0.39) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL13302892 0.69 ACHE (0.39) ALDH1A1KMT2AMAPTMEN1KDM4E
Tectoquinone SCHEMBL36822 0.68 ELANE (1.00) ELANEALDH1A1KMT2AMAPTMEN1
Tectoquinone SCHEMBL29403487 0.68 ELANE (1.00) ELANEALDH1A1KMT2AMAPTMEN1
Tectoquinone SCHEMBL2444159 0.68 ELANE (1.00) ELANEALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053095-B1 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2014-03-26 EP disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
EP-2053095-A2 Ink composition and inkjet recording method using the same Fujifilm Corporation (JP) 2009-04-29 EP disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 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 (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-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME RB1, IK, NOX1 ELANE 625/4885EDNRB 78/4885EDNRA 138/4885

“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.