SCHEMBL19633776

SCHEMBL19633776

CC(C)c1cccc(C2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.46
F2R P25116 1/20 0.42
KIF11 P52732 1/20 0.39
OPRL1 P41146 1/20 0.38
HTR2C P28335 2/20 0.38
ADAM10 O14672 3/20 0.37
MMP2 P08253 1/20 0.37
DHFR P00374 1/20 0.37
MGLL Q99685 5/20 0.37
MAPK1 P28482 1/20 0.36
ERBB2 P04626 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MDM4 O15151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
TYR P14679 1/20 0.36

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
SCHEMBL19633461 0.90 SOS1 (0.40) SOS1F2RKIF11ADAM10MMP2
SCHEMBL27405189 0.90 SOS1 (0.40) SOS1F2RKIF11ADAM10MMP2
SCHEMBL22357737 0.90 SOS1 (0.40) SOS1F2RKIF11ADAM10MMP2
SCHEMBL15566600 0.87 HTR2C (0.43) SOS1HTR2CADAM10MMP2MGLL
SCHEMBL7634263 0.84 HDAC4 (0.47) HTR2CADAM10MMP2ERBB2KDM4E
SCHEMBL5667630 0.82 KMO (0.49) HTR2CADAM10MMP2ERBB2KDM4E
SCHEMBL6388862 0.81 ESR2 (0.43) SOS1HTR2CADAM10MMP2MGLL
SCHEMBL5718532 0.80 MGLL (0.40) SOS1F2RKIF11HTR2CADAM10
SCHEMBL5669789 0.79 HTR2C (0.38) HTR2CADAM10MMP2MGLLERBB2
SCHEMBL1364527 0.79 HTR2C (0.38) SOS1HTR2CADAM10MMP2MGLL

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-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 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-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 SOS1 4156/4885F2R 4362/4885KIF11 3560/4885

“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.