SCHEMBL13619867

SCHEMBL13619867

CN1c2cc(CO)ccc2C(C)(C)C12C=Cc1cc([N+](=O)[O-])ccc1O2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
GFER P55789 1/20 0.62
MAPT P10636 4/20 0.53
GAA P10253 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 2/20 0.53
RECQL P46063 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALPG P10696 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PLIN1 O60240 1/20 0.44
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
PLIN5 Q00G26 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABHD5 Q8WTS1 1/20 0.44

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
SCHEMBL14440467 1.00 MEN1 (0.62) MEN1KMT2AGFERMAPTGAA
SCHEMBL14539504 0.93 MEN1 (0.69) MEN1KMT2AGFERMAPTGAA
SCHEMBL13619865 0.90 MEN1 (0.60) MEN1KMT2AGFERMAPTGAA
SCHEMBL13619864 0.86 MEN1 (0.56) MEN1KMT2AGFERMAPTGAA
SCHEMBL8680305 0.85 MEN1 (0.67) MEN1KMT2AGFERMAPTGAA
SCHEMBL8680569 0.85 MEN1 (0.64) MEN1KMT2AGFERMAPTGAA
SCHEMBL8680328 0.84 MEN1 (0.63) MEN1KMT2AGFERMAPTGAA
SCHEMBL79311 0.84 MAPT (0.70) MEN1KMT2AGFERMAPTGAA
SCHEMBL12922324 0.84 MAPT (0.70) MEN1KMT2AGFERMAPTGAA
SCHEMBL29466131 0.84 MAPT (0.70) MEN1KMT2AGFERMAPTGAA

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 3 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

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 MEN1 2320/4885KMT2A 4480/4885GFER 1174/4885
US-20090280060-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 MEN1 2320/4885KMT2A 4480/4885GFER 1174/4885

“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.