SCHEMBL7603940

SCHEMBL7603940

CCC(=C(Cc1ccccc1)c1ccccc1)c1ccccc1OCCC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.42
AVPR1A P37288 3/20 0.42
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
GBA1 P04062 1/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
HTR1A P08908 2/20 0.36
PARP1 P09874 1/20 0.36
IDO1 P14902 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL7601544 0.94 ESR1 (0.39) AVPR2AVPR1AESR1ESR2PIM1
SCHEMBL7603943 0.85 ESR1 (0.56) ESR1ESR2GBA1SLC6A2SLC6A4
SCHEMBL7603945 0.80 ESR1 (0.39) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL7603939 0.80 ESR1 (0.39) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL7601548 0.79 ESR1 (0.54) ESR1ESR2GBA1SLC6A2SLC6A4
SCHEMBL16758939 0.75 ALDH1A1 (0.55) AVPR2AVPR1APIM1PIM2SLC6A2
SCHEMBL7601542 0.75 SLC6A2 (0.39) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL7601551 0.75 SLC6A2 (0.39) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL7602292 0.72 PSMB1 (0.59) ESR1ESR2DRD2DRD4
SCHEMBL13144644 0.70 AVPR2 (0.54) AVPR2AVPR1AGBA1SLC6A2SLC6A4

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-20020161007-A1 Non-steroidal modulators of estrogen receptors PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2002-10-31 US claimed
US-20020161007-A1 Non-steroidal modulators of estrogen receptors PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2002-10-31 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-20020161007-A1 Non-steroidal modulators of estrogen receptors ESRRB, ESR2, ESRRG AVPR2 3308/4885AVPR1A 2081/4885ESR1 6/4885

“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.