SCHEMBL606870

SCHEMBL606870

CCC(c1ccccc1)C(C)(NC(C)=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
MAPT P10636 1/20 0.40
POLB P06746 2/20 0.40
RIPK1 Q13546 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 2/20 0.38
ELANE P08246 1/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.36
NAAA Q02083 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL606871 1.00 LMNA (0.42) LMNAMEN1KMT2AMTNR1AMTNR1B
SCHEMBL584901 0.76 HSD17B10 (0.58) LMNAMEN1KMT2AMAPTPOLB
SCHEMBL28351865 0.75 LMNA (0.44) LMNAMEN1KMT2AMAPTPOLB
SCHEMBL5425825 0.73 LMNA (0.42) LMNAMEN1KMT2APOLBRIPK1
SCHEMBL27594813 0.73 RIPK1 (0.43) LMNAMEN1KMT2APOLBRIPK1
SCHEMBL9594581 0.72 ALDH1A1 (0.36) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL5916381 0.71 LMNA (0.44) LMNAMEN1KMT2APOLBRIPK1
SCHEMBL14268372 0.71 MEN1 (0.41) LMNAMEN1KMT2APOLBRIPK1
SCHEMBL12944822 0.71 LMNA (0.40) LMNAMEN1KMT2APOLBRIPK1
SCHEMBL23646603 0.71 HSD17B10 (0.49) LMNAMEN1KMT2AMAPTPOLB

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 LMNA 981/4885MEN1 2694/4885KMT2A 2853/4885

“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.