SCHEMBL22018193

SCHEMBL22018193

CCCCCCOC(=O)N1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
HRH2 P25021 4/20 0.48
HRH1 P35367 4/20 0.48
NAAA Q02083 1/20 0.47
GBA2 Q9HCG7 1/20 0.44
EPHX1 P07099 1/20 0.44
PLA2G2A P14555 2/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
GNAI3 P08754 2/20 0.42
GNAO1 P09471 2/20 0.42
GNAI1 P63096 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL20943327 1.00 POLB (0.57) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL21428430 0.98 POLB (0.58) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL5594524 0.93 POLB (0.65) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL6129170 0.93 POLB (0.64) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL19830587 0.86 LMNA (0.60) POLBSMN1; SMN2LMNANAAAGBA2
SCHEMBL5935756 0.86 LMNA (0.60) POLBSMN1; SMN2LMNANAAAGBA2
SCHEMBL7034033 0.85 SMN1; SMN2 (0.50) POLBSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL9405372 0.85 POLB (0.73) POLBSMN1; SMN2LMNAHRH2HRH1
SCHEMBL5935769 0.84 LMNA (0.58) POLBSMN1; SMN2LMNANAAAGBA2
SCHEMBL5405182 0.84 SMN1; SMN2 (0.62) POLBSMN1; SMN2LMNAHRH2HRH1

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-20210380605-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2021-12-09 US disclosed
EP-3778571-A1 (2E,4E)-5-PHENYL-PENTA-2,4-DIEN-1-ONE DERIVATIVE Bioway, Inc. (KR) 2021-02-17 EP disclosed
US-20200157048-A1 (2E,4E)-5-PHENYL-PENTA-2,4-DIEN-1-ONE DERIVATIVE BIOWAY., INC (KR) 2020-05-21 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-20200157048-A1 (2E,4E)-5-PHENYL-PENTA-2,4-DIEN-1-ONE DERIVATIVE PCK1, PCK2, ACACB POLB 2434/4885SMN1; SMN2 4751/4885LMNA 1567/4885
US-20210380605-A1 PYRROLOBENZODIAZEPINE CONJUGATES PRLHR, GLRA1, CXCR1 POLB 2389/4885SMN1; SMN2 4388/4885LMNA 1267/4885

“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.