SCHEMBL3699320

SCHEMBL3699320

O=C1CCCC(Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
SIGMAR1 Q99720 3/20 0.48
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
CCR3 P51677 2/20 0.46
GRIN2B Q13224 1/20 0.44
HTR1A P08908 1/20 0.43
SLC18A3 Q16572 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 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
SCHEMBL6399920 0.96 GBA1 (0.53) GBA1SIGMAR1NOS3NOS1NOS2
SCHEMBL5675291 0.93 GBA1 (0.57) GBA1SIGMAR1CCR3GRIN2BHTR1A
SCHEMBL6398813 0.91 GBA1 (0.52) GBA1SIGMAR1CCR3GRIN2BSLC18A3
Bicarbonate SCHEMBL2854194 0.87 GBA1 (0.52) GBA1CCR3
SCHEMBL3982415 0.86 NOS3 (0.50) GBA1SIGMAR1NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL28729781 0.85 SIGMAR1 (0.48) GBA1SIGMAR1NOS3NOS1NOS2
Formic Acid SCHEMBL29099960 0.84 GBA1 (0.49) GBA1SIGMAR1CCR3GRIN2BHTR1A
SCHEMBL4865561 0.81 GBA1 (0.48) GBA1SIGMAR1NOS3NOS1NOS2
SCHEMBL4865573 0.81 GBA1 (0.48) GBA1SIGMAR1NOS3NOS1NOS2
SCHEMBL25698026 0.81 NOS3 (0.45) GBA1SIGMAR1NOS3NOS1NOS2

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
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 GBA1 1245/4885SIGMAR1 330/4885NOS3 3063/4885

“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.