Sugi Predict

Sugi Predict / Compounds / SCHEMBL15028586

SCHEMBL15028586

SCHEMBL15028586

COc1ccc(C2=C(CCCCCCO)c3ccc(OC)cc3CCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.50
▸ PTGS1 P23219 2/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ FGF23 Q9GZV9 1/20 0.39
▸ CYP19A1 P11511 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ MPO P05164 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ EBP Q15125 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ GLA P06280 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL15028666 1.00 ESR1 (0.50) ESR1PTGS1PTGS2SLC6A3FGF23
SCHEMBL15263129 0.93 ESR1 (0.47) ESR1PTGS1PTGS2CYP19A1CYP11B2
SCHEMBL12072305 0.93 ESR1 (0.47) ESR1PTGS1PTGS2CYP19A1CYP11B2
SCHEMBL15028516 0.93 ESR1 (0.56) ESR1KDM4EALDH1A1EBPSIGMAR1
SCHEMBL15028579 0.93 ESR1 (0.56) ESR1KDM4EALDH1A1EBPSIGMAR1
SCHEMBL15028667 0.91 PTGS2 (0.54) ESR1PTGS1PTGS2
SCHEMBL15012553 0.91 ESR1 (0.44) ESR1PTGS2CYP19A1CYP11B2EBP
SCHEMBL15028517 0.91 PTGS2 (0.54) ESR1PTGS1PTGS2
SCHEMBL15012921 0.90 ESR1 (0.47) ESR1CYP19A1CYP11B2SMN1; SMN2EBP
SCHEMBL15012947 0.90 ESR1 (0.47) ESR1CYP19A1CYP11B2SMN1; SMN2EBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080438-A1 6,7-Dihydro-5H-benzo[7]annulene derivatives, processes for their preparation, pharmaceutical products comprising them and their use for preparing medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-19 — — US disclosed
US-20150080438-A1 6,7-Dihydro-5H-benzo[7]annulene derivatives, processes for their preparation, pharmaceutical products comprising them and their use for preparing medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-19 — — US disclosed
US-20150080438-A1 6,7-Dihydro-5H-benzo[7]annulene derivatives, processes for their preparation, pharmaceutical products comprising them and their use for preparing medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-19 — — US disclosed
WO-2013083568-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SAID 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, AND USE THEREOF TO PRODUCE DRUGS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 — — WO 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-20150080438-A1 6,7-Dihydro-5H-benzo[7]annulene derivatives, processes for their preparation, pharmaceutical products comprising them and their use for preparing medicaments CYP19A1, SHBG, ESR2 ESR1 4/4885PTGS1 449/4885PTGS2 1254/4885

“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.