SCHEMBL3654693

SCHEMBL3654693

CCCC1(c2ccc(OC)cc2)CCCc2cc(OC)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
ADRA2A P08913 1/20 0.41
DRD2 P14416 7/20 0.40
DRD3 P35462 7/20 0.40
DRD1 P21728 4/20 0.39
DRD5 P21918 4/20 0.39
DRD4 P21917 4/20 0.39
SIGMAR1 Q99720 4/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3655584 0.89 KDM1A (0.46) KDM1AADRA2ADRD2DRD3DRD1
SCHEMBL3648572 0.88 KDM1A (0.43) KDM1AADRA2ADRD2DRD3DRD1
SCHEMBL3656075 0.84 KDM1A (0.44) KDM1AADRA2ADRD2DRD3DRD1
SCHEMBL3655452 0.82 CYP26A1 (0.44) KDM1AADRA2ADRD2DRD3DRD1
SCHEMBL3655256 0.80 ESR2 (0.47) KDM1A
SCHEMBL13875406 0.78 ESR2 (0.49)
SCHEMBL3650079 0.78 ESR2 (0.49)
SCHEMBL4800365 0.78 SLC6A4 (0.49) ALDH1A1
SCHEMBL3649238 0.76 KDM1A (0.49) KDM1AADRA2ADRD2DRD3DRD1
SCHEMBL3651756 0.73 SMN1; SMN2 (0.47) KDM1ADRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200962-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY Bayer Schering Pharma Aktiengesellschaft (DE) 2010-06-30 EP claimed
US-20090099250-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY BAYER SCHERING PHARMA AG (DE) 2009-04-16 US claimed
WO-2009047343-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-04-16 WO claimed
EP-2048126-A1 Benzocycloheptane derivatives as selectively active oestrogens Bayer Schering Pharma AG (DE) 2009-04-15 EP claimed
EP-2200962-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY Bayer Schering Pharma Aktiengesellschaft (DE) 2010-06-30 EP disclosed
US-20090099250-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
WO-2009047343-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-04-16 WO disclosed
EP-2048126-A1 Benzocycloheptane derivatives as selectively active oestrogens Bayer Schering Pharma AG (DE) 2009-04-15 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-20090099250-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY CYP19A1, HSD17B11, CYP21A2 KDM1A 2946/4885ADRA2A 902/4885DRD2 1242/4885

“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.