SCHEMBL5553073

SCHEMBL5553073

Cc1noc(C)c1-c1ccc(-c2ccc(C(C)N(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.53
BRD2 P25440 3/20 0.53
CREBBP Q92793 3/20 0.48
NAAA Q02083 1/20 0.46
MLYCD O95822 1/20 0.46
GPR55 Q9Y2T6 1/20 0.45
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
BRD3 Q15059 1/20 0.40
ERN1 O75460 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40

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
SCHEMBL14196935 0.82 BRD4 (0.61) BRD4BRD2CREBBPNAAAMLYCD
SCHEMBL8300240 0.74 BRD4 (0.70) BRD4BRD2CREBBPMLYCDBRD3
SCHEMBL5554003 0.74 BRD4 (0.47) BRD4BRD2CREBBPNAAAMLYCD
SCHEMBL1772573 0.71 BRD4 (0.66) BRD4BRD2CREBBPMLYCDLMNA
SCHEMBL16404607 0.71 BRD4 (0.66) BRD4BRD2MLYCDGPR55LMNA
SCHEMBL12362813 0.71 BRD4 (0.66) BRD4BRD2CREBBPMLYCDERN1
SCHEMBL14678367 0.71 BRD4 (0.66) BRD4BRD2CREBBPMLYCDLMNA
SCHEMBL3885694 0.71 BRD4 (0.66) BRD4BRD2CREBBPMLYCDBRD3
3,5-Dimethyl-4-Phenylisoxazole SCHEMBL12134072 0.70 BRD4 (1.00) BRD4BRD2CREBBPMLYCD
Hydrochloric Acid SCHEMBL23174957 0.69 BRD4 (0.63) BRD4BRD2CREBBPMLYCDERN1

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-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 US claimed
EP-1756058-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-02-28 EP disclosed
WO-2005105744-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. 2005-11-10 WO disclosed
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 US disclosed
US-6875816-B2 Catalyzing the addition polymerization in the presence of a high molecular weight catalyst and a low molecular weight catalyst DOW GLOBAL TECHNOLOGIES INC. (US) 2005-04-05 US disclosed
EP-0874860-B1 SUBSTITUTED INDENYL CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS DOW CHEMICAL CO (US) 2002-11-13 EP disclosed
US-6420507-B1 COORDINATION CATALYSTS FOR POLYMERS THE DOW CHEMICAL COMPANY 2002-07-16 US disclosed
EP-0910593-B1 ELASTOMERS AND PROCESS FOR THEIR MANUFACTURE DOW CHEMICAL CO (US) 2001-04-18 EP disclosed
EP-0857180-B1 READILY SUPPORTABLE METAL COMPLEXES DOW CHEMICAL CO (US) 1999-11-24 EP disclosed
EP-0910593-A1 ELASTOMERS AND PROCESS FOR THEIR MANUFACTURE THE DOW CHEMICAL COMPANY (US) 1999-04-28 EP disclosed
WO-1998002471-A1 ELASTOMERS AND PROCESS FOR THEIR MANUFACTURE THE DOW CHEMICAL COMPANY (US) 1998-01-22 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 (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-20050245543-A1 Histamine-3 receptor antagonists HRH3, HRH4, HRH2 BRD4 1705/4885BRD2 2522/4885CREBBP 2871/4885

“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.