SCHEMBL13625997

SCHEMBL13625997

CCC(=O)c1cc(OCCN(C)C)cc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.55
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.49
ESR2 Q92731 4/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 2/20 0.49
PGR P06401 2/20 0.49
CYP3A4 P08684 2/20 0.49
ESRRG P62508 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
NR1I2 O75469 1/20 0.49
PRKD3 O94806 1/20 0.49
ABCB11 O95342 1/20 0.49
EGFR P00533 1/20 0.49
GBA1 P04062 1/20 0.49
NR3C1 P04150 1/20 0.49
ERBB2 P04626 1/20 0.49
PRKCG P05129 1/20 0.49

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
SCHEMBL13611943 0.85 KDM4E (0.52) ESR1KDM4EALDH1A1SIGMAR1SMN1; SMN2
SCHEMBL13886267 0.82 MAPT (0.53) ESR1MAPTMEN1KMT2ANPC1
SCHEMBL4638666 0.81 ESR1 (0.67) ESR1KDM4EALDH1A1MAPTESR2
SCHEMBL14240790 0.80 SMN1; SMN2 (0.57) KDM4EALDH1A1MAPTMEN1CYP3A4
SCHEMBL7598204 0.77 THRA (0.62) ESR1KDM4EALDH1A1MAPTESR2
SCHEMBL13625994 0.77 THRA (0.70) KDM4EALDH1A1MAPTNPC1ADRB2
SCHEMBL4855074 0.76 BCHE (0.52) ESR1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL4847485 0.76 BCHE (0.52) ESR1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL4854761 0.76 KDM4E (0.50) KDM4EALDH1A1MAPTADRB2ADRB1
SCHEMBL29904793 0.75 CHRNB2 (0.63) ESR1KDM4EALDH1A1SIGMAR1SMN1; SMN2

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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF EISAI R&D MANAGEMENT CO., LTD. 2009-11-26 US disclosed
US-7524883-B2 Eponemycin and epoxomicin analogs and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF PSMC4, PSMB6, EPOR ESR1 378/4885KDM4E 1051/4885ALDH1A1 2891/4885

“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.