SCHEMBL18087565

SCHEMBL18087565

COc1ccc(C)cc1-c1cccc(OC(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.58
▸ MAOB P27338 2/20 0.56
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ GAPDH P04406 2/20 0.49
▸ CYP3A4 P08684 1/20 0.46
▸ CTSA P10619 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ BACE1 P56817 2/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ ACHE P22303 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL18087562 0.89 MAOB (0.53) LMNAMAOBMEN1KMT2AGAPDH
SCHEMBL7037049 0.84 GAPDH (0.52) LMNAMAOBGAPDHCYP3A4MAPT
SCHEMBL18087592 0.84 BACE1 (0.60) LMNAMAOBMEN1KMT2AGAPDH
SCHEMBL30728871 0.84 ACHE (0.55) LMNAMAOBMEN1KMT2ACYP3A4
SCHEMBL7875685 0.84 ACHE (0.55) LMNAMAOBMEN1KMT2ACYP3A4
SCHEMBL16710317 0.83 CTSA (0.49) LMNAMAOBGAPDHCYP3A4CTSA
SCHEMBL16712928 0.83 HSP90AA1 (0.49) LMNAMAOBMEN1KMT2AGAPDH
SCHEMBL20402797 0.83 ALOX5 (0.50) LMNAMAOBKMT2AGAPDHCYP3A4
SCHEMBL8264641 0.79 LMNA (0.79) LMNAMAOBMEN1KMT2AGAPDH
SCHEMBL15906120 0.78 ACHE (0.52) LMNAMEN1KMT2ACYP3A4CTSA

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-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2016-10-06 — — US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 — — 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 (2 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-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 LMNA 2398/4885MAOB 3336/4885MEN1 3514/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P LMNA 1927/4885MAOB 2266/4885MEN1 2637/4885

“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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