SCHEMBL8283668

SCHEMBL8283668

CC(C)(C)C1C/C(=C\c2ccc(O)cc2)C(=O)/C(=C/c2ccc(O)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ F3 P13726 1/20 0.56
▸ HSD11B1 P28845 1/20 0.56
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ NOD2 Q9HC29 1/20 0.54
▸ MAPT P10636 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ HSP90AA1 P07900 3/20 0.51
▸ MAPK1 P28482 2/20 0.51

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
SCHEMBL11290392 0.84 MEN1 (0.54) CYP2C9CYP1A2CYP3A4KMT2AMEN1
SCHEMBL11290388 0.84 MEN1 (0.54) CYP2C9CYP1A2CYP3A4KMT2AMEN1
SCHEMBL11816976 0.83 MAPT (0.61) CYP1A2F3KMT2AMEN1NPC1
SCHEMBL11816970 0.83 MAPT (0.61) CYP1A2F3KMT2AMEN1NPC1
SCHEMBL13044103 0.83 MEN1 (0.50) CYP2C9CYP1A2CYP3A4F3HSD11B1
SCHEMBL8346191 0.83 CYP1A2 (0.62) CYP1A2KMT2AMEN1NPC1NOD2
SCHEMBL8999995 0.83 CYP1A2 (0.62) CYP1A2KMT2AMEN1NPC1NOD2
SCHEMBL9448683 0.81 MAPT (0.65) CYP2C9CYP1A2CYP3A4F3HSD11B1
SCHEMBL9448690 0.81 MAPT (0.65) CYP2C9CYP1A2CYP3A4F3HSD11B1
SCHEMBL17818209 0.77 MAPT (0.48) CYP2C9CYP1A2CYP3A4HSD11B1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304579-B2 Boronic acid aryl analogs JOHNS HOPKINS UNIVERSITY (US) 2012-11-06 — — US disclosed
US-8304579-B2 Boronic acid aryl analogs JOHNS HOPKINS UNIVERSITY (US) 2012-11-06 — — US disclosed
US-20110105431-A1 Boronic Acid Aryl Analogs JOHNS HOPKINS UNIVERSITY, JOHNS HOPKINS TECHNOLOGY TRANSFER 2011-05-05 — — US disclosed
US-20110105431-A1 Boronic Acid Aryl Analogs JOHNS HOPKINS UNIVERSITY, JOHNS HOPKINS TECHNOLOGY TRANSFER 2011-05-05 — — US disclosed
US-7829742-B2 Boronic acid aryl analogs JOHNS HOPKINS UNIVERSITY (US) 2010-11-09 — — US disclosed
US-7829742-B2 Boronic acid aryl analogs JOHNS HOPKINS UNIVERSITY (US) 2010-11-09 — — US disclosed
US-20080171723-A1 Boronic Acid Aryl Analogs John Hopkins University, Johns Hopkins Technology Transfer (US) 2008-07-17 — — US disclosed
US-20080171723-A1 Boronic Acid Aryl Analogs John Hopkins University, Johns Hopkins Technology Transfer (US) 2008-07-17 — — US disclosed
WO-2005063774-A1 BORONIC ACID ARYL ANALOGS JOHNS HOPKINS UNIVERSITY (US) 2005-07-14 — — 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 (2 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-20110105431-A1 Boronic Acid Aryl Analogs BRCA1, BCOR, BCCIP CYP2C9 1282/4885CYP1A2 768/4885CYP3A4 1176/4885
US-20080171723-A1 Boronic Acid Aryl Analogs BRCA1, BCOR, BCCIP CYP2C9 1282/4885CYP1A2 768/4885CYP3A4 1176/4885

“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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