SCHEMBL13625922

SCHEMBL13625922

C=Cc1cccc(OCCCCCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FURIN P09958 1/20 0.46
PNLIP P16233 3/20 0.44
PRSS1 P07477 6/20 0.44
TSHR P16473 1/20 0.41
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
PDK2 Q15119 2/20 0.40
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL4764468 0.88 ALDH1A1 (0.52) FURINPRSS1TLR4TLR2ALDH1A1
SCHEMBL3566872 0.85 KCNA3 (0.57) FURINPRSS1TSHRTLR4TLR2
SCHEMBL10071509 0.84 CYP1A2 (0.48) FURINPRSS1TSHRTLR4TLR2
SCHEMBL27717489 0.84 MAOA (0.54) FURINPNLIPPRSS1TLR4TLR2
SCHEMBL27816601 0.84 MAOA (0.54) FURINPNLIPPRSS1TLR4TLR2
SCHEMBL8402393 0.84 TSHR (0.59) TSHRTLR4TLR2
SCHEMBL7757960 0.84 TSHR (0.59) TSHRTLR4TLR2
SCHEMBL2623209 0.84 CYP1A2 (0.48) FURINPRSS1TSHRTLR4TLR2
SCHEMBL28511203 0.84 PRSS1 (0.44) FURINPRSS1TSHRTLR4TLR2
SCHEMBL10071520 0.84 TSHR (0.59) TSHRTLR4TLR2

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-20180090687-A1 CROSS-CONJUGATED POLYMER, MATERIAL FOR ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD (JP) 2018-03-29 US disclosed
EP-2117062-A1 COMPOSITION FOR ORGANIC DEVICE, POLYMER MEMBRANE AND ORGANIC ELECTROLUMINESCENT DEVICE Mitsubishi Chemical Corporation (JP) 2009-11-11 EP 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-20180090687-A1 CROSS-CONJUGATED POLYMER, MATERIAL FOR ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLC18A1, SLC1A2, SLC43A1 FURIN 4672/4885PNLIP 4372/4885PRSS1 4161/4885

“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.