SCHEMBL7598596

SCHEMBL7598596

CCOCCCNc1ccc(/C(=C(/CC)Cc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
RAB9A P51151 4/20 0.43
ESR1 P03372 3/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
USP2 O75604 1/20 0.39
GBA1 P04062 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 2/20 0.38
TSHR P16473 1/20 0.38
NAMPT P43490 1/20 0.38
MAPT P10636 2/20 0.37
NSD2 O96028 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7596104 1.00 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AESR1MAPK1LMNA
SCHEMBL7599046 0.93 ESR1 (0.43) SMN1; SMN2RAB9AESR1MAPK1LMNA
SCHEMBL7599042 0.93 ESR1 (0.43) SMN1; SMN2RAB9AESR1MAPK1LMNA
SCHEMBL7602281 0.92 ESR1 (0.41) SMN1; SMN2RAB9AESR1MAPK1LMNA
SCHEMBL7602285 0.92 ESR1 (0.41) SMN1; SMN2RAB9AESR1MAPK1LMNA
SCHEMBL7597702 0.89 ESR1 (0.43) SMN1; SMN2RAB9AESR1LMNANPC1
SCHEMBL7600851 0.89 ESR1 (0.43) SMN1; SMN2RAB9AESR1LMNANPC1
SCHEMBL7603604 0.85 ESR1 (0.41) ESR1ALDH1A1CYP19A1MAPTCA1
SCHEMBL7603602 0.85 ESR1 (0.41) ESR1ALDH1A1CYP19A1MAPTCA1
SCHEMBL7600809 0.84 ESR1 (0.43) SMN1; SMN2RAB9AESR1LMNANPC1

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 SMN1; SMN2 4570/4885RAB9A 4660/4885ESR1 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.