SCHEMBL18917684

SCHEMBL18917684

CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.59
EGLN1 Q9GZT9 1/20 0.59
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CNR1 P21554 1/20 0.50
DDR1 Q08345 2/20 0.49
MGLL Q99685 6/20 0.49
ABHD6 Q9BV23 4/20 0.49
PLA2G7 Q13093 3/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
SETD7 Q8WTS6 1/20 0.49
STS P08842 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46

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
SCHEMBL17513187 0.90 VEGFA (0.59) VEGFAEGLN1ALDH1A1MEN1KMT2A
SCHEMBL4505464 0.89 VEGFA (0.61) VEGFAEGLN1ALDH1A1MEN1KMT2A
SCHEMBL23434765 0.88 VEGFA (0.57) VEGFAEGLN1ALDH1A1MEN1KMT2A
SCHEMBL15567036 0.88 KMT2A (0.50) VEGFAEGLN1ALDH1A1MEN1KMT2A
SCHEMBL4298566 0.88 VEGFA (0.52) VEGFAEGLN1ALDH1A1MEN1KMT2A
SCHEMBL28571957 0.87 VEGFA (0.79) VEGFAEGLN1ALDH1A1MEN1KMT2A
SCHEMBL20137138 0.86 VEGFA (0.61) VEGFAEGLN1ALDH1A1MEN1KMT2A
SCHEMBL15093855 0.86 MGLL (0.59) VEGFAEGLN1ALDH1A1MEN1KMT2A
SCHEMBL20971874 0.85 VEGFA (0.57) VEGFAEGLN1ALDH1A1MEN1KMT2A
SCHEMBL15093856 0.85 VEGFA (0.57) VEGFAEGLN1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017096045-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. (US) 2017-06-08 WO disclosed
WO-2017096045-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. (US) 2017-06-08 WO disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS VEGFA 3269/4885EGLN1 3033/4885ALDH1A1 4640/4885

“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.