SCHEMBL19326894

SCHEMBL19326894

COC(=O)CC[C@H](C)COc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ADRB2 P07550 1/20 0.46
▸ ADRB1 P08588 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HTT P42858 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GPR88 Q9GZN0 1/20 0.41

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
SCHEMBL26205631 0.84 MAPT (0.44) MAPTADRB2ADRB1ALDH1A1KDM4E
SCHEMBL20898309 0.78 MAPT (0.60) MAPTHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL23163644 0.76 KDM4E (0.49) MAPTKDM4ETDP1MAPK1GPR88
SCHEMBL7749771 0.75 MAPT (0.51) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL28062700 0.75 HPGD (0.51) MAPTHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL7191065 0.75 MAOB (0.40) MAPTALDH1A1KDM4ESMN1; SMN2GPR88
SCHEMBL4115419 0.74 PTGS2 (0.57) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL14883463 0.74 HDAC1 (0.51) MAPTHPGDALDH1A1KDM4EGAA
SCHEMBL21991589 0.73 MAPT (0.49) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL25377756 0.72 GPR88 (0.51) ALDH1A1GPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327457-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-16 — — US disclosed
US-20170253554-A1 CYCLOPROPANECARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-09-07 — — 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 (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-20170253554-A1 CYCLOPROPANECARBOXYLIC ACID GPR120 MODULATORS GPR88, GPBAR1, GPR68 MAPT 4319/4885HPGD 956/4885ADRB2 66/4885
US-20170327457-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS GPR88, GPR55, GPR180 MAPT 4401/4885HPGD 1231/4885ADRB2 70/4885

“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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