SCHEMBL13619880

SCHEMBL13619880

C=C1N(CCN(CCC(=O)OC)CCC(=O)OC)c2ccccc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 5/20 0.37
TP53 P04637 4/20 0.36
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
CASP3 P42574 1/20 0.35
OPRL1 P41146 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34
NOTUM Q6P988 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL12410885 0.79 KMT2A (0.38) KMT2ACYP1A2CYP2D6ALDH1A1TP53
SCHEMBL4982011 0.73 KMT2A (0.44) KMT2ACYP1A2CYP2D6ALDH1A1TP53
SCHEMBL2180470 0.72 KMT2A (0.46) KMT2ACYP1A2CYP2D6ALDH1A1TP53
SCHEMBL14440482 0.72 MEN1 (0.31) KMT2AMEN1
Bromide SCHEMBL25199975 0.71 CYP1A2 (0.44) KMT2ACYP1A2CYP2D6ALDH1A1MAPT
SCHEMBL5573253 0.71 KMT2A (0.47) KMT2ACYP1A2CYP2D6ALDH1A1TP53
SCHEMBL30996203 0.71 CYP1A2 (0.55) KMT2ACYP1A2CYP2D6TP53LMNA
SCHEMBL12024139 0.70 ALDH1A1 (0.54) KMT2AALDH1A1TP53LMNAMAPT
SCHEMBL9222528 0.70 OPRM1 (0.38) KMT2ACYP1A2CYP2D6ALDH1A1TP53
SCHEMBL9738900 0.70 KMT2A (0.46) KMT2ACYP1A2CYP2D6ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 US disclosed
US-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 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 (2 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-20070195309-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 KMT2A 4480/4885CYP1A2 3441/4885CYP2D6 2032/4885
US-20090280060-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 KMT2A 4480/4885CYP1A2 3441/4885CYP2D6 2032/4885

“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.