SCHEMBL604459

SCHEMBL604459

CCOC(=O)[C@](C)(N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.61
ALDH1A1 P00352 1/20 0.57
RECQL P46063 1/20 0.57
PIN1 Q13526 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HIF1A Q16665 1/20 0.49
TAAR1 Q96RJ0 2/20 0.48
SLC6A2 P23975 1/20 0.48
BLM P54132 1/20 0.47
PPID Q08752 1/20 0.44
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 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
SCHEMBL1831636 1.00 MMP8 (0.61) MMP8ALDH1A1RECQLPIN1SMN1; SMN2
SCHEMBL10684512 1.00 MMP8 (0.61) MMP8ALDH1A1RECQLPIN1SMN1; SMN2
SCHEMBL1809438 0.91 MMP8 (0.53) MMP8ALDH1A1RECQLPIN1SMN1; SMN2
SCHEMBL9386400 0.85 BLM (0.63) MMP8ALDH1A1RECQLSMN1; SMN2BLM
SCHEMBL9386398 0.85 BLM (0.63) MMP8ALDH1A1RECQLSMN1; SMN2BLM
SCHEMBL11088068 0.85 SMN1; SMN2 (0.59) MMP8ALDH1A1RECQLPIN1SMN1; SMN2
SCHEMBL1141134 0.85 ALDH1A1 (0.59) MMP8ALDH1A1RECQLPIN1SMN1; SMN2
SCHEMBL14473051 0.84 TSHR (0.50) MMP8ALDH1A1RECQLSMN1; SMN2HIF1A
SCHEMBL23542554 0.84 NPC1 (0.51) MMP8ALDH1A1RECQLSMN1; SMN2HIF1A
SCHEMBL1773480 0.84 CYP3A4 (0.55) MMP8ALDH1A1RECQLSMN1; SMN2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
CN-117603088-A Aromatic aldehyde Schiff base based on amino acid ethyl ester and application thereof in asymmetric alkylation 广东工业大学 2024-02-27 CN disclosed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 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 (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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 MMP8 1824/4885ALDH1A1 1235/4885RECQL 188/4885

“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.