SCHEMBL19729237

SCHEMBL19729237

CC(=O)CC(NC(C)C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.43
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
APAF1 O14727 1/20 0.41

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
SCHEMBL26997799 1.00 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMTNR1AMTNR1B
SCHEMBL1144336 0.87 ATM (0.52) ALDH1A1LMNAMAPTSMN1; SMN2ATM
SCHEMBL26724536 0.87 ATM (0.52) ALDH1A1LMNAMAPTSMN1; SMN2ATM
SCHEMBL26894968 0.84 ALDH1A1 (0.43) ALDH1A1LMNAKMT2AKDM4ECYP3A4
SCHEMBL13707888 0.84 ALDH1A1 (0.46) ALDH1A1LMNACYP2C19SMN1; SMN2
SCHEMBL19729238 0.84 ESR1 (0.45) ALDH1A1LMNAKDM4EMAPTCYP3A4
SCHEMBL24115263 0.81 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMTNR1AMTNR1B
SCHEMBL13593226 0.81 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMTNR1AMTNR1B
SCHEMBL13164338 0.80 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMTNR1AMTNR1B
SCHEMBL4628700 0.80 KMT2A (0.58) ALDH1A1LMNAKMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins UNIV YALE (US) 2023-07-27 US disclosed
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2023-06-15 US disclosed
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2017-12-21 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 (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-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins ASGR1, LDLR, FCGR2A ALDH1A1 3256/4885LMNA 3307/4885KMT2A 3629/4885
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B ALDH1A1 3359/4885LMNA 210/4885KMT2A 2925/4885
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B ALDH1A1 3359/4885LMNA 210/4885KMT2A 2925/4885

“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.