SCHEMBL20768840

SCHEMBL20768840

CC(C)(C)OC(=O)N1CC2CCC(C1)N2C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
HTT P42858 1/20 0.60
SMYD3 Q9H7B4 7/20 0.57
LMNA P02545 2/20 0.57
RAB9A P51151 1/20 0.56
KMT2A Q03164 2/20 0.54
MAPT P10636 5/20 0.53
MAPK1 P28482 2/20 0.53
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL20768853 0.97 ALDH1A1 (0.59) ALDH1A1HTTSMYD3LMNARAB9A
SCHEMBL20768862 0.95 ALDH1A1 (0.58) ALDH1A1HTTSMYD3LMNARAB9A
SCHEMBL20768886 0.93 ALDH1A1 (0.62) ALDH1A1HTTSMYD3LMNARAB9A
SCHEMBL20768779 0.90 ALDH1A1 (0.61) ALDH1A1HTTSMYD3LMNARAB9A
SCHEMBL20768756 0.90 ALDH1A1 (0.61) ALDH1A1HTTSMYD3LMNARAB9A
SCHEMBL20768743 0.88 ALDH1A1 (0.60) ALDH1A1HTTSMYD3LMNARAB9A
SCHEMBL20769141 0.87 ALDH1A1 (0.58) ALDH1A1HTTSMYD3LMNARAB9A
SCHEMBL18706453 0.86 SMYD3 (0.75) ALDH1A1HTTSMYD3LMNARAB9A
SCHEMBL20768803 0.85 SMYD3 (0.77) ALDH1A1HTTSMYD3LMNAKMT2A
SCHEMBL20768944 0.85 ALDH1A1 (0.64) ALDH1A1HTTSMYD3LMNARAB9A

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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 ALDH1A1 373/4885HTT 4168/4885SMYD3 1/4885

“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.