SCHEMBL6359764

SCHEMBL6359764

CCCNC(=O)c1ccc(OC)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
HPGD P15428 3/20 0.68
POLB P06746 1/20 0.68
TP53 P04637 2/20 0.68
HDAC3 O15379 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC2 Q92769 1/20 0.67
GAA P10253 2/20 0.63
PKM P14618 1/20 0.63
HTT P42858 1/20 0.63
LMNA P02545 2/20 0.62
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
NAMPT P43490 1/20 0.57
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL6360359 0.91 HDAC3 (0.76) ALDH1A1HPGDPOLBTP53HDAC3
SCHEMBL13577928 0.90 HDAC3 (0.70) ALDH1A1HPGDPOLBTP53HDAC3
SCHEMBL13913239 0.88 NAMPT (0.70) ALDH1A1HPGDPOLBTP53HDAC3
SCHEMBL10793237 0.88 TP53 (0.71) ALDH1A1HPGDTP53HDAC3HDAC1
SCHEMBL3207991 0.85 TP53 (0.64) ALDH1A1HPGDPOLBTP53HDAC3
SCHEMBL30892214 0.85 POLB (0.68) ALDH1A1HPGDPOLBTP53HDAC3
SCHEMBL18753537 0.85 ALDH1A1 (0.68) ALDH1A1HPGDPOLBTP53HDAC3
SCHEMBL28471607 0.84 HPGD (0.52) ALDH1A1HPGDPOLBTP53HDAC3
SCHEMBL25808285 0.84 ALDH1A1 (0.67) ALDH1A1HPGDPOLBTP53HDAC3
SCHEMBL6504797 0.83 TP53 (0.69) ALDH1A1HPGDTP53HDAC3HDAC1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
US-4683330-A ANTICOAGULANTS, ANTIULCER AGENTS THE UPJOHN COMPANY (US) 1987-07-28 US disclosed
US-4668814-A ANTIULCER AGENTS, ANTIASHMATICS, ANTICOAGULANTS THE UPJOHN COMPANY (US) 1987-05-26 US disclosed
US-4621100-A Treatment of osteoporosis with prostaglandins THE UPJOHN COMPANY (US) 1986-11-04 US disclosed
US-4160095-A PROSTAGLANDINS; ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1979-07-03 US disclosed
US-4157441-A PROSTAGLANDINS, ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1979-06-05 US disclosed
US-4151351-A PROSTAGLANDINS, ANTIINFLAMMATORY THE UPJOHN COMPANY (US) 1979-04-24 US disclosed
US-4131738-A 6-Hydroxy-PGE1 compounds THE UPJOHN COMPANY (US) 1978-12-26 US disclosed
US-4128713-A 6,7-Didehydro-PGI1 compounds THE UPJOHN COMPANY (US) 1978-12-05 US disclosed
US-4126744-A PROSTACYCLIN, MUSCLE STIMULANTS, PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4112224-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4109082-A PROSTACYCLIN ANALOGS; SMOOTH MUSCLE STIMULATORS THE UPJOHN COMPANY (US) 1978-08-22 US disclosed
US-4100192-A Inter-phenylene-PG amides THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4097489-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-06-27 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 ALDH1A1 1477/4885HPGD 2359/4885POLB 4046/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 ALDH1A1 1477/4885HPGD 2359/4885POLB 4046/4885

“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.