SCHEMBL930908

SCHEMBL930908

CCCNC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.76
RAB9A P51151 4/20 0.68
NPC1 O15118 3/20 0.68
TP53 P04637 1/20 0.68
POLB P06746 1/20 0.66
HDAC3 O15379 1/20 0.65
HDAC2 Q92769 1/20 0.65
SMPD1 P17405 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.63
GAA P10253 1/20 0.63
HTT P42858 1/20 0.63
NR1H4 Q96RI1 1/20 0.61
KMT2A Q03164 3/20 0.60
MAPT P10636 1/20 0.60
MEN1 O00255 1/20 0.59
TSHR P16473 1/20 0.59
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL6356934 0.91 HDAC3 (0.74) ROCK2RAB9ANPC1TP53POLB
SCHEMBL931440 0.89 POLB (0.73) ROCK2RAB9ANPC1TP53POLB
Hydrochloric Acid SCHEMBL9639590 0.89 HDAC3 (0.72) ROCK2RAB9ANPC1TP53POLB
SCHEMBL21276099 0.89 ROCK2 (0.62) ROCK2RAB9ANPC1TP53POLB
SCHEMBL11240645 0.88 POLB (0.76) ROCK2RAB9ANPC1TP53POLB
SCHEMBL3880413 0.88 POLB (0.76) ROCK2RAB9ANPC1TP53POLB
SCHEMBL11246226 0.88 POLB (0.76) ROCK2RAB9ANPC1TP53POLB
SCHEMBL17758484 0.88 ROCK2 (0.61) ROCK2RAB9ANPC1TP53POLB
SCHEMBL14340547 0.88 TAS1R3 (0.64) ROCK2RAB9ANPC1TP53POLB
SCHEMBL30892214 0.88 POLB (0.68) ROCK2RAB9ANPC1TP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015108-A1 Aqueous Buffered Fluoride-Containing Etch Residue Removers and Cleaners AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-01-20 US claimed
US-7807613-B2 Aqueous buffered fluoride-containing etch residue removers and cleaners AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-10-05 US claimed
US-20040266637-A1 Aqueous buffered fluoride-containing etch residue removers and cleaners VERSUM MATERIALS US, LLC 2004-12-30 US claimed
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-10-08 US disclosed
WO-2017106607-A1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
EP-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 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 (4 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 ROCK2 2637/4885RAB9A 703/4885NPC1 2654/4885
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ROCK2 3430/4885RAB9A 1563/4885NPC1 1512/4885
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB ROCK2 374/4885RAB9A 1851/4885NPC1 1148/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 ROCK2 2637/4885RAB9A 703/4885NPC1 2654/4885

“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.