SCHEMBL13677449

SCHEMBL13677449

CCCCCCCCSCc1ccc(CBr)c2c1C1c3ccccc3C13c1ccccc1C23

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL13677517 0.83 KDM4E (0.34) CYSLTR2CYSLTR1KDM4ETDP1
SCHEMBL13617007 0.73
SCHEMBL6075251 0.69 LIPG (0.44) KDM4ETDP1
SCHEMBL27839571 0.62 TSHR (0.45) KDM4E
SCHEMBL27820087 0.62 TSHR (0.45) KDM4E
SCHEMBL6654522 0.62 TSHR (0.45) KDM4E
SCHEMBL20239386 0.62 TSHR (0.45) KDM4E
SCHEMBL27820040 0.62 TSHR (0.45) KDM4E
SCHEMBL11782479 0.61 CYP2C19 (0.48)
SCHEMBL11407928 0.61 CYP2C19 (0.48)

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-8449985-B2 Polyiptycenylene vinylene and method of making the same IMEC (BE) 2013-05-28 US disclosed
US-8449985-B2 Polyiptycenylene vinylene and method of making the same IMEC (BE) 2013-05-28 US disclosed
US-20090246532-A1 POLYIPTYCENYLENE VINYLENE AND METHOD OF MAKING THE SAME INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM (BE) 2009-10-01 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-20090246532-A1 POLYIPTYCENYLENE VINYLENE AND METHOD OF MAKING THE SAME PPOX, VIPR2, VIPR1 CYSLTR2 297/4885CYSLTR1 427/4885KDM4E 3493/4885

“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.