SCHEMBL2773638

SCHEMBL2773638

COC(=O)c1cc(OC)ccc1CC=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ NR4A2 P43354 1/20 0.46
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ APLNR P35414 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ OR51E2 Q9H255 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PLA2G2A P14555 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 2/20 0.40

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
SCHEMBL21477173 0.88 KDM4E (0.53) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2770358 0.86 KDM4E (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13469244 0.83 KDM4E (0.58) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2772400 0.83 CYP46A1 (0.50) KDM4ENR4A2CA1CA2HSD17B10
SCHEMBL28532323 0.82 KDM4E (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3230860 0.82 KDM4E (0.61) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23292486 0.81 KDM4E (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL149036 0.81 KDM4E (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4730741 0.81 KDM4E (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2773966 0.79 KDM4E (0.54) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 — — US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 — — EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 — — US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 — — EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 — — 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 (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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 KDM4E 4469/4885CYP1A2 328/4885CYP2D6 712/4885

“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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