SCHEMBL12414706

SCHEMBL12414706

CC(C)C(=O)OCCn1cccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTT P42858 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ BMP1 P13497 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ TBXAS1 P24557 1/20 0.30

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
SCHEMBL13003479 0.83 HPGD (0.38) HPGDTP53MEN1KMT2AHTT
SCHEMBL10815654 0.79 ALDH1A1 (0.47) TP53MEN1KMT2AHTTTSHR
SCHEMBL12413776 0.78 — —
SCHEMBL8032821 0.77 TBXAS1 (0.50) MEN1KMT2ATSHRALOX15TBXAS1
SCHEMBL28124846 0.76 KDM4E (0.50) HPGDTP53MEN1KMT2AHTT
Ethylene Glycol Diisobutanoate SCHEMBL843146 0.72 TSHR (0.36) TSHRNPC1ALOX15
SCHEMBL26032565 0.72 ATM (0.37) HPGDTP53MEN1KMT2AHTT
SCHEMBL14578717 0.72 MEN1 (0.32) HPGDTP53MEN1KMT2AHTT
SCHEMBL23844841 0.71 TSHR (0.40) HPGDTP53MEN1KMT2AHTT
SCHEMBL16605503 0.71 TP53 (0.32) TP53

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-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 — — US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 — — 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 (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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 HPGD 787/4885TP53 2480/4885MEN1 163/4885

“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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