SCHEMBL1390233

SCHEMBL1390233

Cc1cc(F)ccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.40
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
KMT2A Q03164 1/20 0.37
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PPARG P37231 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
BRD4 O60885 1/20 0.33
FFAR1 O14842 1/20 0.33
ATM Q13315 1/20 0.33
CREBBP Q92793 1/20 0.32
MAPT P10636 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL369328 0.91 PPARG (0.38) GPBAR1MGAMGAASIMGAM2
SCHEMBL370467 0.89 KMT2A (0.41) GPBAR1MGAMGAASIMGAM2
SCHEMBL371141 0.88 GPBAR1 (0.37) GPBAR1MGAMGAASIMGAM2
SCHEMBL368816 0.88 KMT2A (0.46) GPBAR1MGAMGAASIMGAM2
SCHEMBL369472 0.87 MGAM (0.35) GPBAR1MGAMGAASIMGAM2
SCHEMBL369352 0.87 MGAM (0.35) GPBAR1MGAMGAASIMGAM2
SCHEMBL368988 0.87 GPBAR1 (0.51) GPBAR1KMT2AKEAP1NFE2L2ALDH1A1
SCHEMBL369048 0.87 GPBAR1 (0.51) GPBAR1KMT2AKEAP1NFE2L2ALDH1A1
SCHEMBL368987 0.87 GPBAR1 (0.51) GPBAR1KMT2AKEAP1NFE2L2ALDH1A1
SCHEMBL370736 0.87 GPBAR1 (0.51) GPBAR1KMT2AKEAP1NFE2L2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885MGAM 2443/4885GAA 2696/4885

“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.