SCHEMBL4568308

SCHEMBL4568308

COc1cc2[nH]c(C(C)(C)C)cc2cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.42
PRF1 P14222 1/20 0.40
IDH1 O75874 1/20 0.38
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
SYK P43405 2/20 0.34
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CFTR P13569 1/20 0.33
HTR1A P08908 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
AXL P30530 1/20 0.31
NR3C1 P04150 2/20 0.30

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
SCHEMBL15829305 0.86 EHMT2 (0.56) EHMT2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26262426 0.82 GPR84 (0.42) SYKKDM4EALDH1A1HPGD
SCHEMBL4568309 0.81 EHMT2 (0.43) EHMT2PRF1GRIN2DGRIN3BGRIN1
SCHEMBL4568386 0.80 EHMT2 (0.42) EHMT2IDH1GRIN2DGRIN3BGRIN1
SCHEMBL15099984 0.78 EHMT2 (0.40) EHMT2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26262524 0.75 EIF4A3 (0.42)
SCHEMBL14845717 0.74 DAO (0.33) CFTR
SCHEMBL298208 0.74 AXL (0.49) EHMT2PRF1IDH1GRIN2DGRIN3B
SCHEMBL13334421 0.74 KDM4E (0.32) CFTRKDM4EALDH1A1HPGD
SCHEMBL3698730 0.73 EHMT2 (0.42) EHMT2PRF1IDH1GRIN2DGRIN3B

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
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R EHMT2 1886/4885PRF1 3489/4885IDH1 2864/4885

“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.