SCHEMBL6401723

SCHEMBL6401723

CCOC(=O)c1ccc(OCCCCl)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.61
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 2/20 0.55
MAPT P10636 5/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 3/20 0.51
POLB P06746 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ALDH1A1 P00352 2/20 0.50
PRSS1 P07477 2/20 0.50
FDPS P14324 1/20 0.49

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
SCHEMBL3480225 0.93 HSD17B2 (0.54) HSD17B2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL8320092 0.90 HSD17B2 (0.62) HSD17B2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL29171425 0.88 THRA (0.62) HSD17B2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL31474383 0.88 THRA (0.62) HSD17B2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL29171427 0.88 THRA (0.62) HSD17B2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL7718554 0.88 HSD17B2 (0.59) HSD17B2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL29171436 0.88 THRA (0.62) HSD17B2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11245624 0.88 THRA (0.62) HSD17B2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL2308139 0.88 THRA (0.62) HSD17B2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL29171409 0.88 THRA (0.62) HSD17B2NPC1RAB9ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536184-B2 Nitrogenous heterocyclic compounds and process for making nitrogenous heterocyclic compounds and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-09-17 US disclosed
US-8536184-B2 Nitrogenous heterocyclic compounds and process for making nitrogenous heterocyclic compounds and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-09-17 US disclosed
US-8367824-B2 Reacting anthranilic acid with formic acid compound in presence of a catalyst and solvent UBE INDUSTRIES LTD. (JP) 2013-02-05 US disclosed
US-20100240893-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND PROCESS FOR MAKING NITROGENOUS HETEROCYCLIC COMPOUNDS AND INTERMEDIATES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-23 US disclosed
US-7709640-B2 Nitrogenous heterocyclic compounds and process for making nitrogenous heterocyclic compounds and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-20050145550-A1 Automatic chemical injection system for water recreational apparatus CALIFORNIA ACRYLIC INDUSTRIES 2005-07-07 US disclosed
US-20050080262-A1 Process for producing quinazolin-4-one derivative UBE INDUSTRIES, LTD. (JP) 2005-04-14 US disclosed
EP-1477481-A1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE Ube Industries, Ltd. (JP) 2004-11-17 EP 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-20050080262-A1 Process for producing quinazolin-4-one derivative NQO2, SDHA, CYP3A4 HSD17B2 2746/4885NPC1 4721/4885RAB9A 777/4885
US-20100240893-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND PROCESS FOR MAKING NITROGENOUS HETEROCYCLIC COMPOUNDS AND INTERMEDIATES THEREOF NME1, NME2, TNNI3K HSD17B2 2979/4885NPC1 1699/4885RAB9A 2215/4885

“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.