SCHEMBL19901620

SCHEMBL19901620

O=C(Cl)CCCCCN1C(=O)C=CC1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
HSP90AA1 P07900 1/20 0.32
TLR9 Q9NR96 1/20 0.32
FAAH O00519 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MGLL Q99685 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
SCHEMBL20197866 0.86 PTGS1 (0.40) PTGS1PTGS2ALDH1A1HSP90AA1TLR9
SCHEMBL26312049 0.86 PTGS1 (0.56) PTGS1PTGS2TSHRLMNASMN1; SMN2
SCHEMBL12629192 0.86 PTGS1 (0.56) PTGS1PTGS2TSHRLMNASMN1; SMN2
SCHEMBL24864496 0.84 PTGS1 (0.39) PTGS1PTGS2ALDH1A1TSHRHSP90AA1
SCHEMBL20442394 0.81 ALDH1A1 (0.37) PTGS1PTGS2ALDH1A1HPGDMAPK1
SCHEMBL13752367 0.81 PTGS1 (0.36) PTGS1PTGS2ALDH1A1HSP90AA1TLR9
SCHEMBL20840994 0.81 PTGS1 (0.36) PTGS1PTGS2ALDH1A1HSP90AA1TLR9
SCHEMBL23106441 0.81 PTGS1 (0.36) PTGS1PTGS2ALDH1A1HSP90AA1TLR9
SCHEMBL19683934 0.80 PTGS1 (0.35) PTGS1PTGS2ALDH1A1HSP90AA1TLR9
SCHEMBL19479764 0.79 FAAH (0.36) PTGS1PTGS2ALDH1A1FAAHHPGD

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-11517625-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2022-12-06 US disclosed
US-20210038738-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2021-02-11 US disclosed
US-9901644-B2 Dual acting prodrugs KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2018-02-27 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-11517625-B2 Antibody-drug-conjugate and its use for the treatment of cancer DDOST, DAD1, KRTCAP2 PTGS1 4290/4885PTGS2 4449/4885ALDH1A1 1223/4885
US-20210038738-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER DDOST, DAD1, KRTCAP2 PTGS1 4193/4885PTGS2 4355/4885ALDH1A1 1110/4885

“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.