SCHEMBL20969065

SCHEMBL20969065

CC(=O)C1CC=C(C)C(=O)C1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TGFBR1 P36897 1/20 0.34
TSHR P16473 3/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL9538590 1.00 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL20969496 1.00 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL20678578 0.86 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ANPC1HPGD
Carvone SCHEMBL18305510 0.82 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANPC1HPGD
Carvone SCHEMBL39408 0.82 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANPC1HPGD
(S)(+)Carvone SCHEMBL184022 0.82 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANPC1HPGD
Carvone SCHEMBL19899318 0.82 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANPC1HPGD
L-Carvone SCHEMBL230994 0.82 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANPC1HPGD
Carvone SCHEMBL2036234 0.82 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANPC1HPGD
Carvone SCHEMBL18497397 0.82 ALDH1A1 (0.90) ALDH1A1MEN1KMT2ANPC1HPGD

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-20190127306-A1 POLYCYCLIC CARBOGENIC MOLECULES AND USES THEREOF AS ANTI-CANCER AGENTS NORTHWESTERN UNIVERSITY (US) 2019-05-02 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-20190127306-A1 POLYCYCLIC CARBOGENIC MOLECULES AND USES THEREOF AS ANTI-CANCER AGENTS MYC, CDK4, CDKL3 ALDH1A1 2424/4885MEN1 1952/4885KMT2A 2265/4885

“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.