SCHEMBL19862763

SCHEMBL19862763

O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCC(CC2CCCCC2)NC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 2/20 0.34
SSTR1 P30872 1/20 0.34
SSTR4 P31391 1/20 0.34
EPHX1 P07099 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BCL2L1 Q07817 1/20 0.31
MCL1 Q07820 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2460473 0.78 OPRM1 (0.53) POLBSSTR1SSTR4OPRM1OPRL1
SCHEMBL2460474 0.78 OPRM1 (0.53) POLBSSTR1SSTR4OPRM1OPRL1
SCHEMBL29658280 0.66 DRD2 (0.56) ALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL29461356 0.65 DRD2 (0.55) POLBALDH1A1LMNASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL29461349 0.65 DRD2 (0.55) POLBALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL2463018 0.65 KDM4E (0.51) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL2462081 0.65 KDM4E (0.51) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL2462937 0.64 EPHX1 (0.37) NPC1RAB9APOLBEPHX1BCL2L1
SCHEMBL24249397 0.63 HSD11B1 (0.46) POLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL19862764 0.63 KMT2A (0.41) NPC1RAB9APOLBEPHX1ALDH1A1

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-20180044649-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY EMBL (DE) 2018-02-15 US disclosed
US-20180044649-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY EMBL (DE) 2018-02-15 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-20180044649-A1 INFLUENZA A 2009 PANDEMIC H1N1 POLYPEPTIDE FRAGMENTS COMPRISING ENDONUCLEASE ACTIVITY AND THEIR USE RNASE1, ACE, RNASEH1 NPC1 2804/4885RAB9A 3153/4885POLB 122/4885

“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.