SCHEMBL607718

SCHEMBL607718

CC(C)C(CO)N(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.44
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
AOC3 Q16853 4/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
PGR P06401 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL607720 1.00 TRPA1 (0.44) TRPA1ALDH1A1KDM4EAOC3LMNA
SCHEMBL8473559 0.78 TRPA1 (0.45) TRPA1ALDH1A1KDM4EAOC3LMNA
SCHEMBL6832933 0.78 TRPA1 (0.45) TRPA1ALDH1A1KDM4EAOC3LMNA
SCHEMBL4196999 0.78 AOC3 (0.41) ALDH1A1KDM4EAOC3LMNASMN1; SMN2
SCHEMBL5568181 0.76 ALDH1A1 (0.47) TRPA1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL22817497 0.72 AOC3 (0.43) TRPA1ALDH1A1KDM4EAOC3LMNA
SCHEMBL5319361 0.72 TRPA1 (0.50) TRPA1ALDH1A1KDM4EAOC3LMNA
SCHEMBL5319355 0.72 TRPA1 (0.50) TRPA1ALDH1A1KDM4EAOC3LMNA
SCHEMBL9110068 0.71 TRPA1 (0.48) TRPA1ALDH1A1KDM4EAOC3LMNA
SCHEMBL24565100 0.71 ESR1 (0.44) TRPA1ALDH1A1KDM4ELMNASMN1; SMN2

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 TRPA1 2533/4885ALDH1A1 1235/4885KDM4E 2343/4885

“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.