SCHEMBL11765947

SCHEMBL11765947

CCCCOc1c(Br)cc(C=O)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ POLB P06746 2/20 0.54
▸ MAPT P10636 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ S1PR2 O95136 6/20 0.46
▸ S1PR1 P21453 6/20 0.46
▸ S1PR3 Q99500 5/20 0.46
▸ LPAR2 Q9HBW0 5/20 0.46
▸ S1PR4 O95977 2/20 0.46
▸ S1PR5 Q9H228 1/20 0.46
▸ TNFRSF1A P19438 1/20 0.45
▸ FDPS P14324 1/20 0.45
▸ TUBB4A P04350 2/20 0.44

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
SCHEMBL9360147 0.94 ALDH1A1 (0.60) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL3906365 0.94 ALDH1A1 (0.60) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL14195848 0.94 ALDH1A1 (0.60) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL14195849 0.94 ALDH1A1 (0.60) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL14195854 0.94 ALDH1A1 (0.60) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL14195852 0.94 ALDH1A1 (0.60) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL9719099 0.93 ALDH1A1 (0.68) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL7462928 0.89 FDPS (0.51) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL15565623 0.87 ALDH1A1 (0.61) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL31139235 0.87 ALDH1A1 (0.61) ALDH1A1MAPK1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160355496-A1 CHROMENE DERIVATIVES AND THEIR ANALOGS AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2016-12-08 — — US disclosed
US-9371333-B2 Chromene derivatives and their analoga as Wnt pathway antagonists DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2016-06-21 — — US disclosed
US-20130303550-A1 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS RUPRECHT-KARLS-UNIVERSITAT HEIDELBERG (DE) 2013-11-14 — — US disclosed
US-20130296344-A1 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS RUPRECHT-KARLS-UNIVERSITAT HEIDELBERG (DE) 2013-11-07 — — US disclosed
US-4017313-A Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 — — 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 (3 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-20130303550-A1 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS WNT3, WNT1, WNT3A ALDH1A1 3782/4885MAPK1 450/4885MEN1 2461/4885
US-20160355496-A1 CHROMENE DERIVATIVES AND THEIR ANALOGS AS WNT PATHWAY ANTAGONISTS WNT3, WNT1, WNT3A ALDH1A1 4092/4885MAPK1 605/4885MEN1 2607/4885
US-20130296344-A1 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS WNT3, WNT1, WNT3A ALDH1A1 3312/4885MAPK1 959/4885MEN1 3627/4885

“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.

Send feedback