SCHEMBL31173512

SCHEMBL31173512

CC(C)(C)OC(=O)/C=C/c1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 6/20 0.57
▸ ESR1 P03372 5/20 0.57
▸ HDAC1 Q13547 2/20 0.52
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ HPGD P15428 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ABHD6 Q9BV23 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL4683430 0.82 ESR1 (0.54) ESR2ESR1HDAC1MEN1KMT2A
SCHEMBL4683432 0.82 ESR1 (0.54) ESR2ESR1HDAC1MEN1KMT2A
SCHEMBL20367229 0.81 HDAC1 (0.64) ESR2ESR1HDAC1MEN1KMT2A
SCHEMBL16230824 0.81 ESR1 (0.58) ESR2ESR1HDAC1MEN1KMT2A
SCHEMBL31173398 0.79 TMEM97 (0.60) ESR2HDAC1
SCHEMBL19643193 0.79 ESR2 (0.58) ESR2HDAC1MEN1KMT2AMAPT
SCHEMBL19643195 0.79 ESR2 (0.58) ESR2HDAC1MEN1KMT2AMAPT
SCHEMBL20162169 0.79 ESR2 (0.65) ESR2HDAC1MEN1KMT2AMAPT
SCHEMBL2334651 0.79 ESR2 (0.68) ESR2ESR1HDAC1MEN1KMT2A
SCHEMBL31173299 0.79 ESR2 (0.68) ESR2ESR1HDAC1MEN1KMT2A

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-4692057-A1 NOVEL B0AT1 INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2026-02-11 — — EP disclosed
US-20260001849-A1 NOVEL B0AT1 INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2026-01-01 — — US disclosed
WO-2024210198-A1 NOVEL B0AT1 INHIBITOR 田辺三菱製薬株式会社 2024-10-10 — — 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-20260001849-A1 NOVEL B0AT1 INHIBITOR BCAT1, BCAT2, BHMT ESR2 2699/4885ESR1 3932/4885HDAC1 2004/4885

“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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