SCHEMBL26100714

SCHEMBL26100714

CC12CCC3c4ccc(OC(=O)N5CCC(N6CCCC6)CC5)cc4CC(CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)C3C1CCC2O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.55
ESRRA P11474 8/20 0.55
ESR2 Q92731 3/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
NR1I2 O75469 1/20 0.55
NR3C1 P04150 1/20 0.55
PGR P06401 1/20 0.55
EPHX2 P34913 1/20 0.55
PPARG P37231 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
SIRT5 Q9NXA8 1/20 0.55
CYP1A2 P05177 1/20 0.55
ALOX15 P16050 1/20 0.55
CYP2C8 P10632 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HDAC3 O15379 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ESRRB O95718 7/20 0.45

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
SCHEMBL29871506 1.00 ESR1 (0.55) ESR1ESRRAESR2CYP3A4CYP2C19
SCHEMBL23388584 1.00 ESR1 (0.55) ESR1ESRRAESR2CYP3A4CYP2C19
SCHEMBL29871820 0.99 ESR1 (0.55) ESR1ESRRAESR2CYP3A4CYP2C19
SCHEMBL29871817 0.99 ESR1 (0.55) ESR1ESRRAESR2CYP3A4CYP2C19
SCHEMBL23388750 0.99 ESR1 (0.55) ESR1ESRRAESR2CYP3A4CYP2C19
SCHEMBL30489035 0.99 ESR1 (0.55) ESR1ESRRAESR2CYP3A4CYP2C19
SCHEMBL26099847 0.99 ESR1 (0.55) ESR1ESRRAESR2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL32689581 0.99 ESR1 (0.54) ESR1ESRRAESR2CYP3A4CYP2C19
SCHEMBL26462275 0.97 ESR1 (0.53) ESR1ESRRAESR2CYP3A4CYP2C19
SCHEMBL23388566 0.96 ESR1 (0.55) ESR1ESRRAESR2CYP3A4CYP2C19

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-20230137764-A1 PRODRUGS OF FULVESTRANT ACQUIOM AGENCY SERVICES, AS COLLATERAL AGENT 2023-05-04 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-20230137764-A1 PRODRUGS OF FULVESTRANT CYP19A1, PGR, ESR1 ESR1 3/4885ESRRA 23/4885ESR2 14/4885

“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.