SCHEMBL19002290

SCHEMBL19002290

COc1ccc2c(c1)CCC2C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.51
MTNR1B P49286 5/20 0.51
PPARD Q03181 2/20 0.49
SRD5A1 P18405 2/20 0.49
CYP19A1 P11511 1/20 0.48
ESR1 P03372 1/20 0.47
SLC6A9 P48067 1/20 0.47
NQO2 P16083 3/20 0.47
NOTUM Q6P988 1/20 0.46
HTR2C P28335 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL9523155 0.91 TAS1R3 (0.49) MTNR1AMTNR1BPPARD
SCHEMBL27989609 0.89 SRD5A1 (0.50) MTNR1AMTNR1BPPARDSRD5A1CYP19A1
SCHEMBL1844946 0.88 PPARD (0.52) MTNR1AMTNR1BPPARDSRD5A1CYP19A1
SCHEMBL19838588 0.88 MTNR1A (0.59) MTNR1AMTNR1BNQO2
SCHEMBL19469507 0.86 MTNR1A (0.50) MTNR1AMTNR1BPPARDSRD5A1CYP19A1
SCHEMBL19002298 0.84 PPARD (0.46) MTNR1AMTNR1BPPARDSRD5A1CYP19A1
SCHEMBL19002833 0.84 MTNR1A (0.47) MTNR1AMTNR1BPPARDSRD5A1CYP19A1
SCHEMBL1844672 0.79 SIRT1 (0.53) PPARDSLC6A9
SCHEMBL31366772 0.78 ACHE (0.52) MTNR1AMTNR1BCYP19A1NQO2
SCHEMBL1877585 0.78 ACHE (0.52) MTNR1AMTNR1BCYP19A1NQO2

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
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO 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 (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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 MTNR1A 1704/4885MTNR1B 1599/4885PPARD 1077/4885

“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.