SCHEMBL6360359

SCHEMBL6360359

CCCCNC(=O)c1ccc(OC)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.76
HDAC1 Q13547 1/20 0.76
HDAC2 Q92769 1/20 0.76
TP53 P04637 1/20 0.64
NAMPT P43490 1/20 0.61
ALDH1A1 P00352 5/20 0.60
HPGD P15428 4/20 0.60
GAA P10253 3/20 0.60
HTT P42858 2/20 0.60
PKM P14618 1/20 0.60
LMNA P02545 2/20 0.59
POLB P06746 1/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.54
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL13577928 0.96 HDAC3 (0.70) HDAC3HDAC1HDAC2TP53NAMPT
SCHEMBL13913239 0.91 NAMPT (0.70) HDAC3HDAC1HDAC2TP53NAMPT
SCHEMBL6359764 0.91 ALDH1A1 (0.68) HDAC3HDAC1HDAC2TP53NAMPT
SCHEMBL8246368 0.89 HDAC3 (0.61) HDAC3HDAC1HDAC2TP53NAMPT
SCHEMBL8244779 0.87 HDAC3 (0.58) HDAC3HDAC1HDAC2TP53NAMPT
SCHEMBL2677706 0.86 TP53 (0.61) HDAC3HDAC1HDAC2TP53NAMPT
SCHEMBL10793237 0.85 TP53 (0.71) HDAC3HDAC1HDAC2TP53ALDH1A1
SCHEMBL13593371 0.84 NAMPT (0.62) HDAC3HDAC1HDAC2TP53NAMPT
SCHEMBL3207991 0.83 TP53 (0.64) HDAC3HDAC1HDAC2TP53NAMPT
SCHEMBL8624373 0.82 HPGD (0.58) HDAC3HDAC1HDAC2ALDH1A1HPGD

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 58 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-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-4628110-A Novel 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-12-09 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 HDAC3 843/4885HDAC1 1308/4885HDAC2 2021/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 HDAC3 843/4885HDAC1 1308/4885HDAC2 2021/4885

“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.