SCHEMBL7602302

SCHEMBL7602302

CCC(=C(Cc1ccccc1)c1ccccc1)c1ccccc1OC(C)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.52
ESR2 Q92731 3/20 0.52
LMNA P02545 2/20 0.40
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
TSHR P16473 1/20 0.37
ABCB1 P08183 3/20 0.37
KCNA5 P22460 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL7602288 1.00 ESR1 (0.52) ESR1ESR2LMNAPSMB1PSMB5
SCHEMBL7602292 0.80 PSMB1 (0.59) ESR1ESR2PSMB1PSMB5ALDH1A1
SCHEMBL7603939 0.74 ESR1 (0.39) ESR1ESR2
SCHEMBL7603945 0.74 ESR1 (0.39) ESR1ESR2
SCHEMBL7601542 0.72 SLC6A2 (0.39) ESR1ESR2CYP2D6
SCHEMBL7601551 0.72 SLC6A2 (0.39) ESR1ESR2CYP2D6
SCHEMBL28113033 0.70 TSHR (0.58) LMNAALDH1A1NPSR1CYP3A4CYP2C19
SCHEMBL6689255 0.69 ALDH1A1 (0.44) LMNAALDH1A1NPSR1CYP3A4CYP2C19
SCHEMBL7602297 0.68 PSMB1 (0.78) ESR1ESR2PSMB1PSMB5ALDH1A1
SCHEMBL7603940 0.65 AVPR2 (0.42) ESR1ESR2

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 2/4885LMNA 2092/4885

“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.