SCHEMBL6231893

SCHEMBL6231893

CCC1=Cc2cccc(-c3ccc(C(C)(C)C)cc3)c2C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.37
PARP1 P09874 1/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
TSHR P16473 1/20 0.32
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KIF11 P52732 2/20 0.31
S1PR1 P21453 1/20 0.31
DGAT1 O75907 1/20 0.31
NR1H4 Q96RI1 3/20 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
SCHEMBL6662149 0.83 HTR1A (0.36)
SCHEMBL2385859 0.81 ACHE (0.37) PTAFRPARP1BRD4CREBBP
SCHEMBL2386885 0.81 PTAFR (0.33) PTAFRPARP1BRD4CREBBP
SCHEMBL30065602 0.81 PTAFR (0.39) PTAFRPARP1BRD4CREBBPTSHR
SCHEMBL5553099 0.81 PTAFR (0.39) PTAFRPARP1BRD4CREBBPTSHR
SCHEMBL2384551 0.81 PTAFR (0.31) PTAFRBRD4CREBBP
SCHEMBL2387409 0.80 BRD4 (0.34) PTAFRPARP1BRD4CREBBP
SCHEMBL2388074 0.80 PTAFR (0.32) PTAFRPARP1BRD4CREBBP
SCHEMBL16406306 0.79 PTAFR (0.39) PTAFRPARP1BRD4CREBBPTSHR
SCHEMBL4558348 0.77 PTAFR (0.37) PTAFRPARP1BRD4CREBBPTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313747-B1 METHOD FOR PRODUCING ALKYL-BRIDGED LIGAND SYSTEMS AND TRANSITION METAL COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2005-04-20 EP disclosed
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
EP-1313747-A1 METHOD FOR PRODUCING ALKYL-BRIDGED LIGAND SYSTEMS AND TRANSITION METAL COMPOUNDS Basell Polypropylen GmbH (DE) 2003-05-28 EP disclosed
WO-2002018397-A1 METHOD FOR PRODUCING ALKYL-BRIDGED LIGAND SYSTEMS AND TRANSITION METAL COMPOUNDS BASELL POLYPROPYLEN GMBH (DE) 2002-03-07 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-20030199703-A1 Method for producing alkyl-bridged ligand systems and transition metal compounds ABL1, ICMT, ORAI2 PTAFR 2781/4885PARP1 888/4885BRD4 64/4885

“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.