SCHEMBL2770553

SCHEMBL2770553

COC(=O)c1ccc(CBr)cc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 5/20 0.43
▸ ADRB1 P08588 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP4F2 P78329 2/20 0.40
▸ CYP4A11 Q02928 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ BCL2L1 Q07817 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ IDO1 P14902 1/20 0.39

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
SCHEMBL2772618 0.84 HTT (0.48) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL8003987 0.81 CFD (0.48) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL31343490 0.81 CFD (0.48) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL8512059 0.80 NR4A2 (0.47) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL4686032 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL9122410 0.79 TDP1 (0.45) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL1022658 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL29943277 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL711452 0.78 CA12 (0.59) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL2772492 0.78 IDO1 (0.51) ALDH1A1KDM4EMAPTHPGDHTT

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 ADRB3 140/4885ADRB1 147/4885ALDH1A1 2072/4885

“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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