SCHEMBL7598079

SCHEMBL7598079

CCC(Cc1ccccc1)=C(c1ccccc1)c1ccc(NCCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
CYP19A1 P11511 2/20 0.43
RORC P51449 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
NCOR2 Q9Y618 1/20 0.39
PTGS2 P35354 1/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ESRRG P62508 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR2 Q92731 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
SCHEMBL7598076 1.00 ESR1 (0.43) ESR1CYP19A1RORCHDAC3HDAC1
SCHEMBL7603604 0.92 ESR1 (0.41) ESR1CYP19A1RORCHDAC3HDAC1
SCHEMBL7603602 0.92 ESR1 (0.41) ESR1CYP19A1RORCHDAC3HDAC1
SCHEMBL7602283 0.85 ESR1 (0.43) ESR1CYP19A1HDAC3HDAC1HDAC2
SCHEMBL7598327 0.85 ESR1 (0.44) ESR1CYP19A1RORCHDAC3HDAC1
SCHEMBL7602289 0.85 ESR1 (0.43) ESR1CYP19A1HDAC3HDAC1HDAC2
SCHEMBL7599310 0.85 ESR1 (0.44) ESR1CYP19A1RORCHDAC3HDAC1
SCHEMBL7599046 0.84 ESR1 (0.43) ESR1CYP19A1RORCHDAC3HDAC1
SCHEMBL7599042 0.84 ESR1 (0.43) ESR1CYP19A1RORCHDAC3HDAC1
SCHEMBL7602304 0.83 ESR1 (0.43) ESR1CYP19A1HDAC3HDAC1HDAC2

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 1 patent. 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 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 6/4885CYP19A1 13/4885RORC 217/4885

“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.