SCHEMBL16755643

SCHEMBL16755643

CN(C)c1ccc(C(O)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
KDM4E B2RXH2 2/20 0.61
GAA P10253 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
HPGD P15428 2/20 0.48

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
SCHEMBL23035655 1.00 ALDH1A1 (0.61) ALDH1A1KDM4EGAAL3MBTL1LMNA
SCHEMBL11841388 0.94 ALDH1A1 (0.56) ALDH1A1KDM4EGAAL3MBTL1LMNA
SCHEMBL275597 0.82 LMNA (0.79) L3MBTL1LMNAMAPK1TSHRHPGD
SCHEMBL4176097 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EGAAL3MBTL1MAPK1
SCHEMBL8812406 0.81 ALDH1A1 (0.59) ALDH1A1KDM4EGAAL3MBTL1MAPK1
SCHEMBL20943429 0.80 ALDH1A1 (0.83) ALDH1A1KDM4EGAAL3MBTL1LMNA
SCHEMBL67860 0.80 ALDH1A1 (0.87) ALDH1A1KDM4EGAAL3MBTL1LMNA
SCHEMBL472280 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EGAAL3MBTL1LMNA
SCHEMBL14557293 0.79 ALDH1A1 (0.57) ALDH1A1KDM4EGAAL3MBTL1LMNA
SCHEMBL11348649 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EGAAL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3786290-A1 PEPTIDES AND METHODS FOR THE CARBON-CARBON BOND FORMATION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-03-03 EP disclosed
US-20150150893-A1 ANDROGRAPHOLIDE ANALOGS AND THEIR USE FOR MEDICATION LIAONING LIFENG SCIENT & TECHNOLOGY DEV COMPANY LTD (CN) 2015-06-04 US disclosed
CN-102093385-B Schiff base compounds as well as preparation method and application of Schiff base compounds TIANJIN INST PHARM RESEARCH 2013-03-27 CN disclosed
CN-102093385-A Schiff base compounds as well as preparation method and application of Schiff base compounds TIANJIN INST PHARM RESEARCH 2011-06-15 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 (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-20150150893-A1 ANDROGRAPHOLIDE ANALOGS AND THEIR USE FOR MEDICATION CYP11B1, CYP51A1, CYP11B2 ALDH1A1 577/4885KDM4E 3717/4885GAA 321/4885

“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.