SCHEMBL14482014

SCHEMBL14482014

c1ccc2cc3c(cc2c1)CCc1cc2ccccc2cc1CC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2A6 P11509 5/20 0.44
ALOX12 P18054 1/20 0.44
NQO2 P16083 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HIF1A Q16665 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL29230355 1.00 MEN1 (0.52) MEN1KMT2ACYP2A6ALOX12NQO2
Ammonia Solution, Strong SCHEMBL793717 0.97 MEN1 (0.50) MEN1KMT2ACYP2A6ALOX12NQO2
SCHEMBL2929882 0.94 MEN1 (0.48) MEN1KMT2ACYP2A6ALOX12NQO2
SCHEMBL29807605 0.88 TSHR (0.58) MEN1KMT2ACYP2A6ALOX12NQO2
SCHEMBL599885 0.88 TSHR (0.50) MEN1KMT2ACYP2A6ALOX12NQO2
SCHEMBL322056 0.88 TSHR (0.58) MEN1KMT2ACYP2A6ALOX12NQO2
SCHEMBL4541419 0.83 TSHR (0.52) MEN1KMT2ACYP2A6ALOX12TSHR
SCHEMBL7166999 0.83 TSHR (0.46) MEN1KMT2ACYP2A6ALOX12TSHR
SCHEMBL19810100 0.83 TSHR (0.52) MEN1KMT2ACYP2A6ALOX12TSHR
SCHEMBL5491066 0.83 TSHR (0.52) MEN1KMT2ACYP2A6ALOX12TSHR

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-9422294-B2 Cyclic compound, method for producing cyclic compound, and method for modifying biological molecule JNC CORPORATION (JP) 2016-08-23 US disclosed
US-20140364594-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE JNC CORP (JP) 2014-12-11 US disclosed
US-8901312-B2 Cyclic compound, method for producing cyclic compound, and method for modifying biological molecule JNC CORPORATION (JP) 2014-12-02 US disclosed
US-20130011901-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE JNC CORPORATION (JP) 2013-01-10 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-20140364594-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE PTMS, CD38, TIMCC MEN1 498/4885KMT2A 1404/4885CYP2A6 1637/4885
US-20130011901-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE PTMS, CD38, TIMCC MEN1 498/4885KMT2A 1404/4885CYP2A6 1637/4885

“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.