SCHEMBL24095083

SCHEMBL24095083

CC(C)(C)CNc1nc2ccc(O)cc2o1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.45
ESR2 Q92731 12/20 0.45
ELANE P08246 1/20 0.45
APP P05067 4/20 0.43
PCSK9 Q8NBP7 1/20 0.43
LCK P06239 1/20 0.39

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
SCHEMBL30583494 1.00 ESR1 (0.45) ESR1ESR2ELANEAPPPCSK9
SCHEMBL21814880 0.81 ELANE (0.47) ESR1ESR2ELANEAPP
SCHEMBL24095251 0.80 ESR1 (0.49) ESR1ESR2APP
SCHEMBL24095229 0.80 FBP1 (0.50) ELANEAPPPCSK9
SCHEMBL21814848 0.79 ESR1 (0.47) ESR1ESR2APP
SCHEMBL5021496 0.78 PCSK9 (0.59) ELANEPCSK9
SCHEMBL26265051 0.78 ELANE (0.49) ESR1ESR2ELANEAPP
SCHEMBL21815371 0.77 ESR1 (0.43) ESR1ESR2APP
SCHEMBL21815006 0.77 APP (0.46) ESR1ESR2APP
SCHEMBL24095302 0.76 ESR1 (0.42) ESR1ESR2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
US-20210387975-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2021-12-16 US disclosed
CN-113164454-A Inhibitors of VAP-1 奥克塞拉有限公司 2021-07-23 CN 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 (3 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-11787791-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 ESR1 4245/4885ESR2 3315/4885ELANE 1288/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 ESR1 4245/4885ESR2 3315/4885ELANE 1288/4885
US-20210387975-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 ESR1 4245/4885ESR2 3315/4885ELANE 1288/4885

“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.