SCHEMBL4867591

SCHEMBL4867591

C=CCN1C(=O)[C@@H](CC)N(C(=O)c2ccc(OC)cc2)c2cc(F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.37
HSD11B1 P28845 1/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
PKM P14618 1/20 0.35
USP2 O75604 1/20 0.35
AKR1C3 P42330 2/20 0.35
KDM4E B2RXH2 1/20 0.35
AKR1C2 P52895 1/20 0.35

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
SCHEMBL4864167 0.89 KMT2A (0.40) KMT2AMEN1
SCHEMBL4864075 0.89 USP2 (0.45) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4867553 0.89 USP2 (0.45) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4867565 0.87 ALDH1A1 (0.47) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4870214 0.85 SMN1; SMN2 (0.39) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4862078 0.85 SMN1; SMN2 (0.39) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4864292 0.85 ALDH1A1 (0.41) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4870059 0.85 USP2 (0.45) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4864170 0.85 ALDH1A1 (0.40) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4867889 0.84 SMN1; SMN2 (0.43) GAASMN1; SMN2NPC1RAB9AALDH1A1

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-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 GAA 2671/4885SMN1; SMN2 4822/4885NPC1 1178/4885

“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.