SCHEMBL13287220

SCHEMBL13287220

Cc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 8/20 0.74
▸ CREB1 P16220 6/20 0.74
▸ CYP3A4 P08684 5/20 0.74
▸ MAPT P10636 5/20 0.74
▸ SMN1; SMN2 Q16637 4/20 0.74
▸ TP53 P04637 3/20 0.74
▸ MEN1 O00255 3/20 0.74
▸ ALDH1A1 P00352 3/20 0.74
▸ CYP1A1 P04798 3/20 0.74
▸ CYP1A2 P05177 3/20 0.74
▸ KMT2A Q03164 3/20 0.74
▸ CYP1B1 Q16678 3/20 0.74
▸ FTO Q9C0B1 3/20 0.74
▸ CYP2C9 P11712 3/20 0.74
▸ CYP2C19 P33261 3/20 0.74
▸ PRSS1 P07477 2/20 0.74
▸ PRSS2 P07478 2/20 0.74
▸ PRSS3 P35030 2/20 0.74
▸ KDM4E B2RXH2 2/20 0.74
▸ GABRP O00591 2/20 0.74

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
SCHEMBL17265620 0.90 ABCB1 (0.80) ABCB1CREB1CYP3A4MAPTSMN1; SMN2
SCHEMBL16521506 0.88 ADORA3 (0.69) ABCB1CREB1CYP3A4MAPTSMN1; SMN2
SCHEMBL16521508 0.86 ABCB1 (0.55) ABCB1CREB1CYP3A4MAPTSMN1; SMN2
Baicalein SCHEMBL28365951 0.85 ABCB1 (0.94) ABCB1CREB1CYP3A4MAPTSMN1; SMN2
SCHEMBL12978376 0.85 CREB1 (0.79) ABCB1CREB1CYP3A4MAPTSMN1; SMN2
Baicalein SCHEMBL5695785 0.85 ABCB1 (1.00) ABCB1CREB1CYP3A4MAPTSMN1; SMN2
Baicalein SCHEMBL29385549 0.85 ABCB1 (1.00) ABCB1CREB1CYP3A4MAPTSMN1; SMN2
Baicalein SCHEMBL139617 0.85 ABCB1 (1.00) ABCB1CREB1CYP3A4MAPTSMN1; SMN2
SCHEMBL6245328 0.84 ABCB1 (1.00) ABCB1CREB1CYP3A4MAPTSMN1; SMN2
Baicalein SCHEMBL28630648 0.84 ABCB1 (0.97) ABCB1CREB1CYP3A4MAPTSMN1; SMN2

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-9415034-B2 Inhibitors and enhancers of uridine diphosphate-glucuronosyltransferase 2B (UGT2B) NATIONAL DEFENSE MEDICAL CENTER (TW) 2016-08-16 — — US disclosed
US-20160184298-A1 INHIBITORS AND ENHANCERS OF URIDINE DIPHOSPHATE-GLUCURONOSYLTRANSFERASE 2B (UGT2B) NAT DEFENSE MEDICAL CT (TW) 2016-06-30 — — US disclosed
US-9120744-B2 Plasminogen activator inhibitor-1 inhibitors and methods of use thereof to modulate lipid metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-01 — — US disclosed
US-20100137194-A1 Plasminogen Activator Inhibitor-1 Inhibitors and Methods of Use Thereof to Modulate Lipid Metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2010-06-03 — — US disclosed
US-20090074708-A1 Inhibitors and Enhancers of Uridine Diphosphate-Glucuronosyltransferase 2B (UGT2B) NATIONAL DEFENSE MEDICAL UNIVERSITY (TW) 2009-03-19 — — 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-20100137194-A1 Plasminogen Activator Inhibitor-1 Inhibitors and Methods of Use Thereof to Modulate Lipid Metabolism SERPINE1, PLAT, SERPINB1 ABCB1 2208/4885CREB1 1877/4885CYP3A4 1379/4885
US-20160184298-A1 INHIBITORS AND ENHANCERS OF URIDINE DIPHOSPHATE-GLUCURONOSYLTRANSFERASE 2B (UGT2B) UGT2B7, UGT2B17, UGT1A10 ABCB1 18/4885CREB1 4560/4885CYP3A4 23/4885
US-20090074708-A1 Inhibitors and Enhancers of Uridine Diphosphate-Glucuronosyltransferase 2B (UGT2B) UGT2B7, UGT2B17, UGT1A10 ABCB1 18/4885CREB1 4560/4885CYP3A4 23/4885

“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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