SCHEMBL5423715

SCHEMBL5423715

O=C(O)CCC(=O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.41
ABHD6 Q9BV23 4/20 0.41
KMT2A Q03164 1/20 0.40
NR4A2 P43354 1/20 0.39
CYP1A2 P05177 3/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FFAR1 O14842 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
USP5 P45974 1/20 0.37

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
SCHEMBL5418343 0.90 ESR1 (0.61) ESR1ESR2HDAC8HDAC6PKM
SCHEMBL5419441 0.88 ESR1 (0.52) ESR1ESR2HDAC8HDAC6PKM
SCHEMBL5418547 0.84 ESR1 (0.50) ESR1ESR2HDAC8HDAC6PKM
SCHEMBL1366031 0.83 ESR1 (0.48) ESR1ESR2HDAC8HDAC6PKM
SCHEMBL31670421 0.80 ESR1 (0.50) ESR1ESR2HDAC8HDAC6PKM
SCHEMBL31670368 0.79 HDAC6 (0.55) ESR1ESR2HDAC8HDAC6ABHD6
SCHEMBL10214641 0.76 HDAC6 (0.56) ESR1ESR2HDAC8HDAC6ABHD6
SCHEMBL5432221 0.75 MCHR1 (0.67)
SCHEMBL3292015 0.74 ESR1 (0.64) ESR1ESR2HDAC8HDAC6PKM
SCHEMBL1367390 0.74 ESR1 (0.64) ESR1ESR2HDAC8HDAC6PKM

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
US-7229986-B2 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2007-06-12 US disclosed
US-20030158177-A1 Treating or preventing obesity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 US disclosed
EP-1283199-A1 MELANIN-CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-02-12 EP 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-20030158177-A1 Treating or preventing obesity MCHR1, MC1R, NPY1R ESR1 1689/4885ESR2 797/4885HDAC8 2142/4885

“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.