SCHEMBL3698680

SCHEMBL3698680

COc1cc2[nH]c(C(C)C)cc2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
TAAR1 Q96RJ0 1/20 0.32
AXL P30530 1/20 0.32

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
SCHEMBL25787435 0.87 EHMT2 (0.56) EHMT2KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL3698730 0.81 EHMT2 (0.42) EHMT2KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL25723806 0.81 TSHR (0.39) KDM4EMAPTATMGRIN2DGRIN3B
SCHEMBL12966001 0.77 DHFR (0.39) EHMT2KDM4E
SCHEMBL20283592 0.77 EIF4A3 (0.38)
SCHEMBL12938175 0.75 DHFR (0.38) KDM4E
SCHEMBL4568309 0.72 EHMT2 (0.43) EHMT2KDM4EMAPTATMGRIN2D
SCHEMBL16030262 0.72 EHMT2 (0.43) EHMT2KDM4EMAPTATMGRIN2D
SCHEMBL12965888 0.72 CYP2A6 (0.42) KDM4EMAPTAXL
SCHEMBL30946193 0.71 LOXL2 (0.55) EHMT2KDM4EMAPTATMGRIN2D

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
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP 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 1886/4885KDM4E 3521/4885MAPT 3199/4885

“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.