SCHEMBL606869

SCHEMBL606869

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
RECQL P46063 1/20 0.72
MMP8 P22894 2/20 0.59
TAAR1 Q96RJ0 3/20 0.53
THRB P10828 2/20 0.53
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
APP P05067 1/20 0.46
LMNA P02545 2/20 0.44
PIN1 Q13526 1/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PPID Q08752 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTPN2 P17706 1/20 0.42

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
SCHEMBL27574238 0.86 ALDH1A1 (0.57) ALDH1A1RECQLMMP8MEN1KMT2A
SCHEMBL1835704 0.85 RECQL (0.56) ALDH1A1RECQLMMP8TAAR1THRB
SCHEMBL27395266 0.84 ALDH1A1 (1.00) ALDH1A1RECQLMMP8TAAR1THRB
SCHEMBL28914937 0.81 ALDH1A1 (0.89) ALDH1A1RECQLMMP8TAAR1THRB
SCHEMBL2329888 0.81 ALDH1A1 (0.53) ALDH1A1RECQLMMP8TAAR1LMNA
SCHEMBL2331138 0.81 ALDH1A1 (0.53) ALDH1A1RECQLMMP8TAAR1LMNA
SCHEMBL8410894 0.81 ALDH1A1 (0.53) ALDH1A1RECQLMMP8TAAR1LMNA
SCHEMBL3458059 0.78 ALDH1A1 (0.50) ALDH1A1RECQLMMP8TAAR1KMT2A
SCHEMBL8710582 0.78 MMP8 (0.79) ALDH1A1RECQLMMP8TAAR1THRB
SCHEMBL1492859 0.78 MMP8 (0.65) ALDH1A1RECQLMMP8TAAR1THRB

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 8 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
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP disclosed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO 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 ALDH1A1 1235/4885RECQL 188/4885MMP8 1824/4885

“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.