SCHEMBL18917989

SCHEMBL18917989

CC(C)(C)OC(=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
ALOX15 P16050 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MGLL Q99685 2/20 0.52
ABHD6 Q9BV23 1/20 0.52
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
STS P08842 1/20 0.51
VEGFA P15692 1/20 0.51
EGLN1 Q9GZT9 1/20 0.51
KDM4E B2RXH2 2/20 0.50
RBP4 P02753 1/20 0.50
POLB P06746 1/20 0.49
CYP2A13 Q16696 1/20 0.47

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
SCHEMBL15093902 0.89 MGLL (0.58) ALDH1A1ALOX15TDP1MEN1KMT2A
SCHEMBL20256842 0.88 ALDH1A1 (0.55) ALDH1A1ALOX15TDP1MEN1KMT2A
SCHEMBL20256881 0.87 ALDH1A1 (0.54) ALDH1A1ALOX15TDP1MEN1KMT2A
SCHEMBL15094092 0.86 MGLL (0.72) ALDH1A1ALOX15TDP1MEN1KMT2A
SCHEMBL17276773 0.85 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ARAB9AMGLL
SCHEMBL28563641 0.83 VEGFA (0.75) ALDH1A1ALOX15TDP1MEN1KMT2A
SCHEMBL15265349 0.83 ALDH1A1 (0.55) ALDH1A1ALOX15TDP1MEN1KMT2A
SCHEMBL2862442 0.82 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL20256877 0.81 ALDH1A1 (0.51) ALDH1A1ALOX15TDP1MEN1KMT2A
SCHEMBL20817743 0.81 VEGFA (0.52) ALDH1A1ALOX15TDP1MEN1KMT2A

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
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
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

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 ALDH1A1 4640/4885ALOX15 4059/4885TDP1 3049/4885

“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.