SCHEMBL7601544

SCHEMBL7601544

CCC(=C(Cc1ccccc1)c1ccccc1)c1ccccc1OCCC1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 4/20 0.38
AVPR2 P30518 2/20 0.37
AVPR1A P37288 2/20 0.37
USP30 Q70CQ3 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 2/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
GBA1 P04062 1/20 0.33
PARP1 P09874 1/20 0.33
HTR1A P08908 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL7603940 0.94 AVPR2 (0.42) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL7601548 0.85 ESR1 (0.54) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL7603943 0.79 ESR1 (0.56) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL7601551 0.78 SLC6A2 (0.39) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL7601542 0.78 SLC6A2 (0.39) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL7603945 0.76 ESR1 (0.39) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL7603939 0.76 ESR1 (0.39) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL7602292 0.71 PSMB1 (0.59) ESR1ESR2KDM4EALDH1A1POLB
SCHEMBL7599018 0.71 USP30 (0.33) USP30KMT2A
SCHEMBL27561499 0.70 HSP90AA1 (0.48) SLC6A2SLC6A4SLC6A3KMT2AKDM4E

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 ESR1 6/4885ESR2 2/4885SLC6A2 4774/4885

“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.