SCHEMBL4866550

SCHEMBL4866550

CCCCCN1C(=O)[C@@H](CC)N(C(=O)c2ccc(O)cc2)c2cc(F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
CDC25A P30304 1/20 0.35
HSD17B3 P37058 7/20 0.34
MEN1 O00255 3/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR1H2 P55055 1/20 0.33
RNASEL Q05823 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 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 0.97 KMT2A (0.41) KMT2AHSD17B3MEN1TSHRALDH1A1
SCHEMBL4869034 0.93 KMT2A (0.42) KMT2AMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL4864170 0.89 ALDH1A1 (0.40) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL4867992 0.88 KMT2A (0.43) KMT2AMEN1TSHRPOLB
SCHEMBL4866414 0.88 KMT2A (0.43) KMT2AMEN1TSHRPOLB
SCHEMBL4864292 0.86 ALDH1A1 (0.41) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL4869782 0.85 BRD4 (0.39) KMT2AMEN1
SCHEMBL4867563 0.85 BRD4 (0.39) KMT2AMEN1
SCHEMBL4870146 0.84 KMT2A (0.41) KMT2AMEN1POLB
SCHEMBL4861967 0.84 KMT2A (0.41) KMT2AMEN1ALDH1A1POLB

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 2436/4885CDC25A 4021/4885HSD17B3 129/4885

“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.