SCHEMBL20565012

SCHEMBL20565012

CCCCN(c1ccc(OC)c(F)c1)C(C(=O)OC(C)C)C(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
CES1 P23141 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 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
SCHEMBL26327694 0.87 TAS1R3 (0.40) TAS1R3TAS1R1HTTLMNAMAPK1
SCHEMBL20565362 0.80 NR1H2 (0.35) HTTKDM4EALDH1A1PPARGPPARD
SCHEMBL20564998 0.80 LMNA (0.32) LMNAKDM4ETHRATHRBPPARG
SCHEMBL25439783 0.78 RAB9A (0.35) LMNARAB9AALDH1A1PPARGPPARD
SCHEMBL25440275 0.78 NPC1 (0.40) LMNARAB9APPARGPPARA
SCHEMBL20564580 0.77 CHRNB2 (0.39) ALDH1A1PPARGPPARDPPARA
SCHEMBL25440228 0.76 ESR1 (0.41) LMNARAB9AALDH1A1
SCHEMBL25439960 0.75 HDAC3 (0.33) LMNARAB9AALDH1A1
SCHEMBL26324900 0.75 SMN1; SMN2 (0.38) LMNARAB9AKDM4EALDH1A1PPARG
SCHEMBL30618390 0.74 MAPT (0.42) LMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
WO-2018213572-A9 PREPARATION OF SECONDARY AMINES WITH ELECTROPHILIC N-LINCHPIN REAGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-12-13 WO disclosed
WO-2018213572-A1 PREPARATION OF SECONDARY AMINES WITH ELECTROPHILIC N-LINCHPIN REAGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-11-22 WO 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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 TAS1R3 3237/4885TAS1R1 3824/4885HTT 771/4885

“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.