SCHEMBL19716268

SCHEMBL19716268

CC(=O)c1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 9/20 0.71
▸ CREB1 P16220 6/20 0.71
▸ CYP3A4 P08684 4/20 0.71
▸ MAPT P10636 4/20 0.71
▸ MEN1 O00255 3/20 0.71
▸ ALDH1A1 P00352 3/20 0.71
▸ CYP1A1 P04798 3/20 0.71
▸ CYP1A2 P05177 3/20 0.71
▸ KMT2A Q03164 3/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.71
▸ CYP1B1 Q16678 3/20 0.71
▸ FTO Q9C0B1 3/20 0.71
▸ CYP2C9 P11712 3/20 0.71
▸ CYP2C19 P33261 3/20 0.71
▸ PRSS1 P07477 2/20 0.71
▸ PRSS2 P07478 2/20 0.71
▸ PRSS3 P35030 2/20 0.71
▸ PTPRS Q13332 2/20 0.71
▸ KDM4E B2RXH2 2/20 0.71
▸ GABRP O00591 2/20 0.71

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
Baicalein SCHEMBL29200768 0.86 ABCB1 (0.89) ABCB1CREB1CYP3A4MAPTMEN1
Baicalein SCHEMBL28365951 0.83 ABCB1 (0.94) ABCB1CREB1CYP3A4MAPTMEN1
Baicalein SCHEMBL5695785 0.83 ABCB1 (1.00) ABCB1CREB1CYP3A4MAPTMEN1
Baicalein SCHEMBL29385549 0.83 ABCB1 (1.00) ABCB1CREB1CYP3A4MAPTMEN1
Baicalein SCHEMBL139617 0.83 ABCB1 (1.00) ABCB1CREB1CYP3A4MAPTMEN1
SCHEMBL6245328 0.82 ABCB1 (1.00) ABCB1CREB1CYP3A4MAPTMEN1
Baicalein SCHEMBL28372093 0.82 ABCB1 (0.97) ABCB1CREB1CYP3A4MAPTMEN1
Baicalein SCHEMBL28630648 0.82 ABCB1 (0.97) ABCB1CREB1CYP3A4MAPTMEN1
Baicalein SCHEMBL28826034 0.82 ABCB1 (0.97) ABCB1CREB1CYP3A4MAPTMEN1
Baicalein SCHEMBL28206740 0.82 ABCB1 (0.97) ABCB1CREB1CYP3A4MAPTMEN1

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-10471054-B2 CDK1 inhibitors of acetyl chrysin mannich base derivatives, synthesis and use thereof Zhang, Fan (CN) 2019-11-12 — — US claimed
US-20190216792-A1 CDK1 INHIBITORS OF ACETYL CHRYSIN MANNICH BASE DERIVATIVES, SYNTHESIS AND USE THEREOF ZHANG, FAN (CN) 2019-07-18 — — US claimed
US-10471054-B2 CDK1 inhibitors of acetyl chrysin mannich base derivatives, synthesis and use thereof Zhang, Fan (CN) 2019-11-12 — — US disclosed
US-10471054-B2 CDK1 inhibitors of acetyl chrysin mannich base derivatives, synthesis and use thereof Zhang, Fan (CN) 2019-11-12 — — US disclosed
US-20190216792-A1 CDK1 INHIBITORS OF ACETYL CHRYSIN MANNICH BASE DERIVATIVES, SYNTHESIS AND USE THEREOF ZHANG, FAN (CN) 2019-07-18 — — US disclosed
US-20190216792-A1 CDK1 INHIBITORS OF ACETYL CHRYSIN MANNICH BASE DERIVATIVES, SYNTHESIS AND USE THEREOF ZHANG, FAN (CN) 2019-07-18 — — US disclosed
WO-2017215538-A1 MANNICH BASE DERIVATIVE OF ACETYLCHRYSIN AND USE THEREOF 张帆 2017-12-21 — — WO disclosed
CN-1300134-C Baicalin preparing process NANJING LAI ER BIOCHEMICAL CO (CN) 2007-02-14 — — CN disclosed
CN-1673222-A Baicalin preparing process NANJING LAI ER BIOCHEMICAL CO (CN) 2005-09-28 — — CN 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-20190216792-A1 CDK1 INHIBITORS OF ACETYL CHRYSIN MANNICH BASE DERIVATIVES, SYNTHESIS AND USE THEREOF CDK1, CDK12, CDK18 ABCB1 3544/4885CREB1 2344/4885CYP3A4 1525/4885
US-10471054-B2 CDK1 inhibitors of acetyl chrysin mannich base derivatives, synthesis and use thereof CDK1, CDK12, CDK18 ABCB1 3544/4885CREB1 2344/4885CYP3A4 1525/4885

“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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