SCHEMBL18655471

SCHEMBL18655471

CC(C)Cc1ccc(Oc2ccccc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
RCE1 Q9Y256 1/20 0.49
IKBKB O14920 1/20 0.46
BRAF P15056 1/20 0.46
ALDH1A1 P00352 4/20 0.46
LTA4H P09960 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CARM1 Q86X55 1/20 0.40

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
SCHEMBL6333313 0.87 SLC6A4 (0.41) GAARCE1IKBKBBRAFALDH1A1
SCHEMBL4531281 0.84 GAA (0.46) GAARCE1IKBKBBRAFALDH1A1
SCHEMBL18659791 0.81 GAA (0.53) GAARCE1IKBKBBRAFALDH1A1
SCHEMBL8703777 0.80 GAA (0.56) GAARCE1IKBKBBRAFALDH1A1
SCHEMBL13719144 0.80 XIAP (0.49) ALDH1A1TDP1MAPTCARM1PRMT6
SCHEMBL2285909 0.80 GAA (0.69) GAARCE1IKBKBBRAFALDH1A1
SCHEMBL9252743 0.78 LTA4H (0.55) LTA4H
SCHEMBL5078385 0.78 CYP1A2 (0.51) GAARCE1IKBKBBRAFALDH1A1
SCHEMBL4575613 0.78 SLC6A4 (0.48) CYP2C9PTGS1SLC6A4
SCHEMBL1270588 0.78 GAA (0.67) GAARCE1IKBKBBRAFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2017-03-23 US disclosed
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2017-03-23 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 (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-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 GAA 2596/4885RCE1 1253/4885IKBKB 966/4885

“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.