SCHEMBL2887334

SCHEMBL2887334

COc1cccc(C(c2cccnc2)[C@@H](C(=O)O)C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE4D Q08499 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
THRB P10828 1/20 0.42
ROCK2 O75116 1/20 0.42
CYP1A1 P04798 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP1B1 Q16678 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
NPY5R Q15761 1/20 0.41
MTNR1A P48039 1/20 0.41

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
SCHEMBL2882507 0.84 L3MBTL1 (0.47) TSHRL3MBTL1CYP1A2MTNR1AMTNR1B
SCHEMBL2887225 0.81 MEN1 (0.46) MEN1KMT2ATDP1TSHRSMN1; SMN2
SCHEMBL2882340 0.81 MTNR1A (0.58) TDP1TSHRL3MBTL1CYP1A2MTNR1A
SCHEMBL2884957 0.79 MEN1 (0.46) MEN1KMT2ASMN1; SMN2L3MBTL1MTNR1A
SCHEMBL2887330 0.78 PDE4D (0.53) KCNA5MEN1KMT2ATDP1ALDH1A1
SCHEMBL2887332 0.78 PDE4D (0.53) KCNA5MEN1KMT2ATDP1ALDH1A1
Ammonia Solution, Strong SCHEMBL6000232 0.73 KCNA5 (0.56) KCNA5MEN1KMT2ATDP1TSHR
SCHEMBL27511396 0.72 PDE4D (0.52) KCNA5MEN1KMT2ATDP1TSHR
SCHEMBL1515839 0.70 KCNA5 (0.47) KCNA5MEN1KMT2ATDP1ALDH1A1
SCHEMBL9040002 0.70 ALDH1A1 (0.50) KCNA5MEN1KMT2ATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND MSD K.K. (JP) 2010-05-13 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-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND BMP6, GPR6, ACSL6 KCNA5 771/4885MEN1 4377/4885KMT2A 3157/4885

“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.