SCHEMBL19002833

SCHEMBL19002833

COc1ccc2c(c1)CCC2C(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.47
MTNR1B P49286 4/20 0.47
NQO2 P16083 1/20 0.47
PPARD Q03181 2/20 0.46
SRD5A1 P18405 2/20 0.46
CYP19A1 P11511 2/20 0.45
SLC6A9 P48067 1/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B1 P14061 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2C P28335 1/20 0.43
ESR1 P03372 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL27989609 0.85 SRD5A1 (0.50) MTNR1AMTNR1BPPARDSRD5A1CYP19A1
SCHEMBL1844946 0.84 PPARD (0.52) MTNR1AMTNR1BPPARDSRD5A1CYP19A1
SCHEMBL19002290 0.84 MTNR1A (0.51) MTNR1AMTNR1BNQO2PPARDSRD5A1
SCHEMBL19469507 0.82 MTNR1A (0.50) MTNR1AMTNR1BNQO2PPARDSRD5A1
SCHEMBL19002298 0.80 PPARD (0.46) MTNR1AMTNR1BNQO2PPARDSRD5A1
SCHEMBL820924 0.77 PPARG (0.53) MTNR1AMTNR1BNQO2PPARDSRD5A1
SCHEMBL821387 0.77 PPARG (0.53) MTNR1AMTNR1BNQO2PPARDSRD5A1
SCHEMBL20214136 0.77 PPARG (0.53) MTNR1AMTNR1BNQO2PPARDSRD5A1
SCHEMBL820921 0.77 PPARG (0.53) MTNR1AMTNR1BNQO2PPARDSRD5A1
SCHEMBL6229546 0.77 PPARG (0.53) MTNR1AMTNR1BNQO2PPARDSRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221191-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC 2019-03-05 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (2 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-10221191-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 MTNR1A 1704/4885MTNR1B 1599/4885NQO2 2067/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 MTNR1A 1704/4885MTNR1B 1599/4885NQO2 2067/4885

“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.