SCHEMBL23297258

SCHEMBL23297258

O=C(ON1C(=O)CCC1=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
SRD5A2 P31213 2/20 0.42
GSK3B P49841 2/20 0.41
PTPN1 P18031 2/20 0.41
ALDH1A1 P00352 2/20 0.40
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL300884 0.86 CA12 (0.42) MEN1HPGDKMT2AALDH1A1LMNA
SCHEMBL7273843 0.84 SMN1; SMN2 (0.48) MEN1HPGDKMT2ASRD5A2ALDH1A1
SCHEMBL23767395 0.84 CES2 (0.47) CES2HPGDTSHRLMNAGAA
SCHEMBL1696262 0.81 KDM4E (0.42) CES2CES1MEN1HPGDTSHR
SCHEMBL159204 0.81 KDM4E (0.42) CES2CES1MEN1HPGDTSHR
SCHEMBL13455758 0.81 SMN1; SMN2 (0.44) MEN1HPGDKMT2AALDH1A1LMNA
SCHEMBL8824297 0.80 CYP19A1 (0.41) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL18162174 0.80 ALDH1A1 (0.35) MEN1HPGDTSHRKMT2AALDH1A1
SCHEMBL13073460 0.80 MLYCD (0.32) PRSS1ACR
SCHEMBL13198707 0.80

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-11667621-B2 Antiestrogen compounds STEVENS INSTITUTE OF TECHNOLOGY (US) 2023-06-06 US disclosed
US-20210130320-A1 ANTIESTROGEN COMPOUNDS STEVENS INSTITUTE OF TECHNOLOGY (US) 2021-05-06 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 (2 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-11667621-B2 Antiestrogen compounds ESR1, ESR2, ESRRG CES2 2344/4885CES1 1306/4885MEN1 2747/4885
US-20210130320-A1 ANTIESTROGEN COMPOUNDS ESR1, ESR2, ESRRG CES2 2344/4885CES1 1306/4885MEN1 2747/4885

“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.