SCHEMBL882489

SCHEMBL882489

CCCCOc1cccc(-c2nc3cc(OC)c(OCCOC)cc3c(=O)[nH]2)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.45
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PDE5A O76074 1/20 0.42
KDR P35968 1/20 0.42
BRD4 O60885 1/20 0.42
BRD1 O95696 1/20 0.42
PARP1 P09874 1/20 0.42
BRD2 P25440 1/20 0.42
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL873980 0.87 GUSB (0.48) GUSBPDE3BPDE3AKDR
SCHEMBL874857 0.81 GUSB (0.57) GUSB
SCHEMBL10222126 0.80 ENPP1 (0.45) PDE3BPDE3AKDR
SCHEMBL15966710 0.77 MAPT (0.55) PDE5APARP1TRPV1
SCHEMBL874164 0.75 GUSB (0.65) GUSB
SCHEMBL259473 0.74 GUSB (0.67) GUSBPARP1
SCHEMBL8499675 0.73 TNKS (0.67) GUSBPARP1
SCHEMBL874165 0.72 GUSB (0.68) GUSBPARP1
SCHEMBL11919793 0.72 GUSB (0.55) GUSB
SCHEMBL873763 0.70 GUSB (0.67) GUSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440961-B2 Rho-kinase inhibitors and method of preparation SURFACE LOGIX, INC. (US) 2016-09-13 US disclosed
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS KADMON CORPORATION, LLC 2015-12-03 US disclosed
EP-1865958-B1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2015-07-08 EP disclosed
US-8916576-B2 Pharmacokinetically improved compounds SURFACE LOGIX, INC. (US) 2014-12-23 US disclosed
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2013-05-23 US disclosed
US-8357693-B2 Pharmacokinetically improved compounds SURFACE LOGIX, INC. (US) 2013-01-22 US disclosed
US-20120202793-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2012-08-09 US disclosed
WO-2012040499-A2 METABOLIC INHIBITORS SURFACE LOGIX, INC. (US) 2012-03-29 WO disclosed
WO-2010104851-A1 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2010-09-16 WO disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 US disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 WO 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-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 GUSB 895/4885PDE3B 121/4885PDE3A 103/4885
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 GUSB 895/4885PDE3B 121/4885PDE3A 103/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 GUSB 895/4885PDE3B 121/4885PDE3A 103/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA GUSB 3229/4885PDE3B 309/4885PDE3A 296/4885

“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.