SCHEMBL6715661

SCHEMBL6715661

CCCCCCC(=O)Oc1cc[c]cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
DGKA P23743 1/20 0.46
POLM Q9NP87 1/20 0.45
POLK Q9UBT6 1/20 0.45
POLL Q9UGP5 1/20 0.45
POLH Q9Y253 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ESR1 P03372 1/20 0.44
CA2 P00918 2/20 0.43

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
SCHEMBL11449330 1.00 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9ADGKA
SCHEMBL11261478 1.00 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9ADGKA
SCHEMBL11449013 1.00 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9ADGKA
SCHEMBL8748187 1.00 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9ADGKA
SCHEMBL9776353 1.00 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9ADGKA
SCHEMBL6680085 1.00 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9ADGKA
SCHEMBL5253812 0.98 KMT2A (0.54) KMT2ASMN1; SMN2NPC1RAB9ADGKA
SCHEMBL1660417 0.93 KMT2A (0.48) KMT2ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9724798 0.91 KMT2A (0.54) KMT2ASMN1; SMN2NPC1RAB9APOLM
SCHEMBL15549028 0.88 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9ADGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142952-A1 Triazoloquinazoline and pyrazolotriazolopyrimidine derivatives, medicinal compositions, adenosine a3 receptor affinity agents, ocular tension lowering agents, preparations for preventing and treating glaucoma and method of lowering ocular tension OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-07-22 US disclosed
EP-1364953-A1 TRIAZOLOQUINAZOLINE AND PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES, MEDICINAL COMPOSITIONS, ADENOSINE A3 RECEPTOR AFFINITY AGENTS, OCULAR TENSION LOWERING AGENTS, PREPARATIONS FOR PREVENTING AND TREATING GLAUCOMA AND METHOD OF LOWERING OCULAR TENSION OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2003-11-26 EP disclosed
US-4225608-A ANTIDEPRESSANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-09-30 US disclosed
EP-0004288-A2 Phenoxyalkyl amines, pharmaceutical compositions containing them, and process for their preparation MERCK PATENT GmbH (DE) 1979-10-03 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 (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-20040142952-A1 Triazoloquinazoline and pyrazolotriazolopyrimidine derivatives, medicinal compositions, adenosine a3 receptor affinity agents, ocular tension lowering agents, preparations for preventing and treating glaucoma and method of lowering ocular tension ADORA3, ADORA1, ADORA2A KMT2A 3349/4885SMN1; SMN2 4846/4885NPC1 2587/4885

“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.