SCHEMBL6890535

SCHEMBL6890535

CCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1CCC1C(CC)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP3 Q9Y6F1 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7783132 0.92 BRD4 (0.35) BRD4CREBBPTNKSTNKS2PARP3
SCHEMBL7198398 0.92 BRD4 (0.35) BRD4CREBBPTNKSTNKS2PARP3
SCHEMBL7037709 0.90 BRD4 (0.34) BRD4CREBBP
SCHEMBL7110783 0.88 BRD4 (0.33) BRD4CREBBP
SCHEMBL3997088 0.87 BRD4 (0.33) BRD4CREBBP
SCHEMBL7197984 0.86 BRD4 (0.33) BRD4CREBBP
SCHEMBL4620494 0.84 PDCD1 (0.33) BRD4
SCHEMBL7035276 0.84 BRD4 (0.33) BRD4CREBBPNPC1LMNATP53
SCHEMBL7035813 0.84 BRD4 (0.33) BRD4CREBBPTNKSTNKS2PARP3
SCHEMBL6890554 0.83 BRD4 (0.36) BRD4CREBBPTNKSTNKS2PARP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6784305-B2 DERIVATIVES OF ZIRCONOCENE DICHLORIDE IN WHICH THE TWO SUBSTITUTED INDENYL GROUPS ARE JOINED TO ONE ANOTHER VIA A BRIDGE CAN, OWING TO THEIR CONFORMATIONAL RIGIDITY, BE USED AS CATALYSTS FOR THE STEREOSPECIFIC POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-08-31 US disclosed
US-20030199703-A1 Method for producing alkyl-bridged ligand systems and transition metal compounds EQUISTAR CHEMICALS, LP 2003-10-23 US disclosed
US-6620953-B1 Complexing dimethylbis(2-methyl-4,5-benzoindenyl)silane with transition metal compounds such as 2,4-di-tert-butylphenoxide, zirconium monochloride, to form polymerization catalysts BASSELL POLYOLEFINE GMBH (DE) 2003-09-16 US disclosed
EP-1133504-B1 METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2003-03-12 EP 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-20030199703-A1 Method for producing alkyl-bridged ligand systems and transition metal compounds ABL1, ICMT, ORAI2 BRD4 64/4885CREBBP 2742/4885TNKS 915/4885

“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.