SCHEMBL14723014

SCHEMBL14723014

C=C(C)C(=O)OCCCCCCCCOc1ccc(/C=C(\C#N)c2cc(OC)cc(OC)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
APEX1 P27695 1/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NQO2 P16083 2/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47

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
SCHEMBL14723015 1.00 POLB (0.54) POLBAPEX1HTTTDP1NQO2
SCHEMBL14723111 0.93 NQO2 (0.59) POLBAPEX1HTTTDP1NQO2
SCHEMBL14723114 0.93 NQO2 (0.59) POLBAPEX1HTTTDP1NQO2
SCHEMBL4651518 0.93 POLB (0.58) POLBAPEX1HTTTDP1NQO2
SCHEMBL4651509 0.93 POLB (0.58) POLBAPEX1HTTTDP1NQO2
SCHEMBL2028815 0.90 TUBB1 (0.60) POLBAPEX1HTTTDP1NQO2
SCHEMBL2028817 0.90 TUBB1 (0.60) POLBAPEX1HTTTDP1NQO2
SCHEMBL4652668 0.88 HTT (0.53) POLBAPEX1HTTTDP1NQO2
SCHEMBL4652665 0.88 HTT (0.53) POLBAPEX1HTTTDP1NQO2
SCHEMBL4652663 0.88 HTT (0.59) POLBAPEX1HTTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748280-B1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2016-11-30 EP disclosed
EP-2748280-B1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2016-11-30 EP disclosed
US-9366906-B2 Photoreactive compounds ROLIC AG (CH) 2016-06-14 US disclosed
US-9366906-B2 Photoreactive compounds ROLIC AG (CH) 2016-06-14 US disclosed
US-9366906-B2 Photoreactive compounds ROLIC AG (CH) 2016-06-14 US disclosed
US-20140192305-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2014-07-10 US disclosed
US-20140192305-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2014-07-10 US disclosed
US-20140192305-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2014-07-10 US disclosed
EP-2748280-A1 PHOTOREACTIVE COMPOUNDS Rolic AG (CH) 2014-07-02 EP disclosed
WO-2013026691-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2013-02-28 WO 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-20140192305-A1 PHOTOREACTIVE COMPOUNDS PCNA, CRY1, CRY2 POLB 1269/4885APEX1 457/4885HTT 886/4885

“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.