SCHEMBL4869034

SCHEMBL4869034

CCCN1C(=O)[C@@H](CC)N(C(=O)c2ccc(O)cc2)c2cc(F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 5/20 0.34
POLB P06746 1/20 0.34
CCKBR P32239 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
PDK1 Q15118 3/20 0.33
PDK2 Q15119 3/20 0.33
PDK3 Q15120 3/20 0.33
PDK4 Q16654 3/20 0.33
HSP90AA1 P07900 2/20 0.33
TDP2 O95551 1/20 0.32
CASP6 P55212 1/20 0.32
UBE2I P63279 1/20 0.32

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
SCHEMBL4867620 0.94 KMT2A (0.41) KMT2AALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL4866550 0.93 KMT2A (0.40) KMT2AALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL4867992 0.91 KMT2A (0.43) KMT2AMEN1POLBNR3C1PGR
SCHEMBL4866414 0.91 KMT2A (0.43) KMT2AMEN1POLBNR3C1PGR
SCHEMBL4867565 0.89 ALDH1A1 (0.47) KMT2AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4869782 0.88 BRD4 (0.39) KMT2AMEN1NR3C1PGRNR3C2
SCHEMBL4867563 0.88 BRD4 (0.39) KMT2AMEN1NR3C1PGRNR3C2
SCHEMBL4870146 0.87 KMT2A (0.41) KMT2AMEN1POLBNR3C1PGR
SCHEMBL4861967 0.87 KMT2A (0.41) KMT2AALDH1A1MEN1POLBCCKBR
SCHEMBL4867500 0.87 KMT2A (0.43) KMT2AMEN1POLBNR3C1PGR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351709-B2 Estrogen receptor ligands WYETH (US) 2008-04-01 US claimed
US-20060019961-A1 Estrogen receptor ligands WYETH 2006-01-26 US claimed
US-7351709-B2 Estrogen receptor ligands WYETH (US) 2008-04-01 US disclosed
US-20060019961-A1 Estrogen receptor ligands WYETH 2006-01-26 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-20060019961-A1 Estrogen receptor ligands GPER1, ESR2, ESR1 KMT2A 2436/4885ALDH1A1 1051/4885CYP1A2 650/4885

“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.