SCHEMBL1977542

SCHEMBL1977542

COc1cc(OC)c(-c2cc(=O)c3c(OC)c(CCCCCCCCCCCCCO)c(OC)cc3o2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 3/20 0.44
▸ QPCT Q16769 1/20 0.44
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ CYP1A1 P04798 2/20 0.43
▸ CYP1B1 Q16678 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ POLB P06746 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1980105 1.00 ABCB1 (0.44) ABCB1QPCTABCG2MEN1KMT2A
SCHEMBL1975891 0.86 ABCB1 (0.64) ABCB1ABCG2MEN1KMT2ATP53
SCHEMBL1973514 0.86 ABCB1 (0.64) ABCB1ABCG2MEN1KMT2ATP53
SCHEMBL1421434 0.85 MEN1 (0.65) ABCB1ABCG2MEN1KMT2ATP53
SCHEMBL1976117 0.85 MEN1 (0.65) ABCB1ABCG2MEN1KMT2ATP53
SCHEMBL1976108 0.83 MEN1 (0.65) ABCB1ABCG2MEN1KMT2ATP53
SCHEMBL1973279 0.83 MEN1 (0.65) ABCB1ABCG2MEN1KMT2ATP53
SCHEMBL1974728 0.81 HSD17B2 (0.62) MEN1KMT2ACYP1A1CYP1B1CYP1A2
SCHEMBL1974922 0.81 HSD17B2 (0.62) MEN1KMT2ACYP1A1CYP1B1CYP1A2
SCHEMBL1975096 0.79 ABCB1 (0.47) ABCB1QPCTABCG2CYP1A1CYP1B1

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-20110144194-A1 CHROMENONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES AXOGLIA THERAPEUTICS (LU) 2011-06-16 — — US disclosed
EP-2112145-A1 Chromenone derivatives useful for the treatment of neurodegenerative diseases AxoGlia Therapeutics S.A. (LU) 2009-10-28 — — 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-20110144194-A1 CHROMENONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PARK7, CDR2, SNCA ABCB1 2178/4885QPCT 2573/4885ABCG2 1767/4885

“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.

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