SCHEMBL17828199

SCHEMBL17828199

COC(=O)c1ccc(Oc2ccccc2Br)c(C(=O)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.45
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 4/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 3/20 0.45
GLA P06280 2/20 0.45
ATM Q13315 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
NOTUM Q6P988 1/20 0.44
ESRRA P11474 1/20 0.44
TSHR P16473 2/20 0.43
SLC6A3 Q01959 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL490654 0.89 ALDH1A1 (0.49) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL21732400 0.85 KMT2A (0.55) ALDH1A1HSD17B10KDM4EMAPTGAA
SCHEMBL30604044 0.84 SLC6A4 (0.48) ALDH1A1MAPTSLC6A3LMNAKMT2A
SCHEMBL7119440 0.83 ALDH1A1 (0.56) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL11660466 0.81 TTR (0.55) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL2457384 0.79 CA1 (0.53) ALDH1A1HSD17B10KDM4EMAPTGAA
SCHEMBL17828200 0.79 TTR (0.47) HPGDALDH1A1HSD17B10KDM4EGAA
SCHEMBL7119617 0.79 ALDH1A1 (0.54) HPGDALDH1A1MAPTESRRATSHR
SCHEMBL4579128 0.77 USP2 (0.63) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL31748192 0.77 HPGD (0.54) HPGDALDH1A1HSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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 (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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 HPGD 4624/4885ALDH1A1 2519/4885HSD17B10 2439/4885

“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.