SCHEMBL22858397

SCHEMBL22858397

CC(=O)N(Cc1ccccc1)C(=O)CCN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.51
CYP2C19 P33261 1/20 0.51
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
EGFR P00533 1/20 0.48
HSP90AA1 P07900 1/20 0.48
POLB P06746 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 1/20 0.47
ABCB1 P08183 1/20 0.46
GLA P06280 1/20 0.45

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
SCHEMBL14174816 0.79 APAF1 (0.53) ALDH1A1KMT2AMAPTLMNACYP2C19
SCHEMBL28839873 0.75 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTLMNACYP2C19
SCHEMBL2526727 0.73 LMNA (0.57) ALDH1A1KMT2ALMNAMEN1
SCHEMBL5709612 0.72 HSD17B10 (0.57) KMT2ALMNAPOLBMEN1
SCHEMBL7445085 0.72 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTLMNACYP2C19
SCHEMBL16215077 0.72 LMNA (0.53) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL6500535 0.71 ALDH1A1 (0.67) ALDH1A1KMT2AMAPTLMNACYP2C19
SCHEMBL321369 0.71 ALDH1A1 (1.00) ALDH1A1KMT2AMAPTLMNACYP2C19
SCHEMBL2910116 0.70 GLA (0.58) ALDH1A1KMT2AMAPTLMNACYP2C19
Hydrochloric Acid SCHEMBL11682498 0.69 LMNA (0.53) ALDH1A1KMT2ALMNAMEN1

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-11840514-B2 Catalysts and methods for enantioselective conjugate addition of amines to unsaturated electrophiles NORTHWESTERN UNIVERSITY (US) 2023-12-12 US disclosed
US-20210002221-A1 CATALYSTS AND METHODS FOR ENANTIOSELECIVE CONJUGATE ADDITION OF AMINES TO UNSATURATED ELECTROPHILES NORTHWESTERN UNIVERSITY 2021-01-07 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 (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-11840514-B2 Catalysts and methods for enantioselective conjugate addition of amines to unsaturated electrophiles AADAC, COASY, PAICS ALDH1A1 142/4885KMT2A 1436/4885MAPT 3807/4885
US-20210002221-A1 CATALYSTS AND METHODS FOR ENANTIOSELECIVE CONJUGATE ADDITION OF AMINES TO UNSATURATED ELECTROPHILES COASY, AADAC, AOC1 ALDH1A1 97/4885KMT2A 1916/4885MAPT 3952/4885

“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.