SCHEMBL13619798

SCHEMBL13619798

CCCc1cccc2c1C(C)(C)C1(C=Nc3c(c(CBr)cc4ccccc34)O1)N2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
THRB P10828 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALOX12 P18054 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL13619800 0.91 KDM4E (0.47) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL13619786 0.84 MAPT (0.64) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL13619847 0.84 KDM4E (0.49) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL13619797 0.83 MAPT (0.67) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL13619801 0.80 KDM4E (0.53) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL13619846 0.80 MAPT (0.69) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL14427992 0.79 MAPT (0.48) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL13619788 0.78 MAPT (0.50) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL14427991 0.78 KDM4E (0.48) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL14427993 0.76 MAPT (0.46) KDM4EMAPTTHRBSMN1; SMN2ALOX12

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 KDM4E 2669/4885MAPT 1551/4885THRB 4313/4885
US-20090280060-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 KDM4E 2669/4885MAPT 1551/4885THRB 4313/4885

“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.