SCHEMBL6244357

SCHEMBL6244357

COc1ccc2c(c1)CCC2c1ccc(OC)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.49
PPARD Q03181 2/20 0.48
KDM4C Q9H3R0 3/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SRD5A1 P18405 2/20 0.45
CYP19A1 P11511 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 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
SCHEMBL12047054 0.79 SMN1; SMN2 (0.53) KDM4EPOLBSMN1; SMN2AKR1C3AKR1C2
SCHEMBL1844946 0.77 PPARD (0.52) SLC6A9PPARDSMN1; SMN2SRD5A1CYP19A1
SCHEMBL8530718 0.76 MTNR1A (0.45) SLC6A9PPARDSRD5A1CYP19A1MTNR1A
SCHEMBL6248750 0.75 PPARD (0.38) SLC6A9PPARDKDM4ESRD5A1MTNR1A
SCHEMBL27989609 0.75 SRD5A1 (0.50) SLC6A9PPARDSMN1; SMN2SRD5A1CYP19A1
SCHEMBL19002290 0.74 MTNR1A (0.51) SLC6A9PPARDSRD5A1CYP19A1MTNR1A
SCHEMBL820924 0.73 PPARG (0.53) SLC6A9PPARDSRD5A1MTNR1AMTNR1B
SCHEMBL20214100 0.73 PPARG (0.53) SLC6A9PPARDSRD5A1MTNR1AMTNR1B
SCHEMBL820921 0.73 PPARG (0.53) SLC6A9PPARDSRD5A1MTNR1AMTNR1B
SCHEMBL6207342 0.73 PPARG (0.53) SLC6A9PPARDSRD5A1MTNR1AMTNR1B

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-20050256308-A1 Spiro compounds, medicinal compositions containing the same and intermediates of the compounds DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1559707-A1 SPIRO COMPOUNDS, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES OF THE COMPOUNDS Dainippon Pharmaceutical Co., Ltd. (JP) 2005-08-03 EP 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-20050256308-A1 Spiro compounds, medicinal compositions containing the same and intermediates of the compounds ESRRA, ESR1, BRCA1 SLC6A9 1546/4885PPARD 893/4885KDM4C 3370/4885

“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.