SCHEMBL6131372

SCHEMBL6131372

CC1=C(C)C(C)C(c2cccc3ccc(C)nc23)=C1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.45
CCR1 P32246 1/20 0.42
RAB9A P51151 1/20 0.42
CCR5 P51681 1/20 0.42
PARP1 P09874 1/20 0.40
GLO1 Q04760 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SLC40A1 Q9NP59 2/20 0.37
AGTR1 P30556 1/20 0.35
PAX8 Q06710 1/20 0.35
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX5 P09917 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6131366 0.81 CCR1 (0.46) METAP2CCR1CCR5SLC40A1TDP1
SCHEMBL2115749 0.77 CCR1 (0.64) METAP2CCR1RAB9ACCR5PARP1
Hydrochloric Acid SCHEMBL6292374 0.72 METAP2 (0.41) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL27509727 0.70 METAP2 (0.46) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL27594921 0.69 METAP2 (0.53) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL2116625 0.68 METAP2 (0.52) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL12642227 0.66 METAP2 (0.59) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL5110386 0.66 METAP2 (0.53) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL25302893 0.66 CRHR1 (0.51) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL806441 0.66 CCR1 (0.64) METAP2CCR1RAB9ACCR5PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100354287-C Monocyclopentadienyl complexes of chromium, molybdenum or tungsten with donor bridge BASSEL POLYOLEFIN AG (DE) 2007-12-12 CN disclosed
US-6919412-B1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten with a donor bridge BASELL POLYOLEFINE GMBH (DE) 2005-07-19 US disclosed
EP-1288219-B1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten with a donor bridge BASELL POLYOLEFINE GMBH (DE) 2005-04-20 EP disclosed
US-6838563-B2 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten BASELL POLYOLEFINS (DE) 2005-01-04 US disclosed
US-6787498-B2 AS CATALYSTS FOR POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-09-07 US disclosed
US-6699948-B2 AS CATALYSTS FOR POLYMERIZATION OF OLEFINS BASF AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed
US-20030055267-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten MIHAN SHAHRAM (DE) 2003-03-20 US disclosed
EP-1288219-A2 Monocyclopentadienyl complexes of chromium molybdenum or tungsten with a donor bridge Basell Polyolefine GmbH (DE) 2003-03-05 EP disclosed
CN-1399640-A Monocyclopentadienyl complexes of chromium, molybdenum or tungsten with donor bridge BASSEL POLYOLEFIN AG (DE) 2003-02-26 CN disclosed
US-20030036658-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten MIHAN SHAHRAM (DE) 2003-02-20 US disclosed
US-20030036662-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten MIHAN SHAHRAM (DE) 2003-02-20 US disclosed
EP-1212333-B1 MONOCYCLOPENTADIENYL COMPLEXES OF CHROMIUM, MOLYBDENUM OR TUNGSTEN WITH A DONOR BRIDGE BASELL POLYOLEFINE GMBH (DE) 2003-02-12 EP disclosed
US-6437161-B1 OLEFIN POLYMERIZATION CATALYSTS; SUBSTITUENT ON THE CYCLOPENTADIENYL RING CARRIES A DONOR FUNCTION WHICH IS BONDED RIGIDLY, NOT EXCLUSIVELY VIA SP3-HYBRIDIZED CARBON OR SILICON ATOMS, BASF AKTIENGESELLSCHAFT (DE) 2002-08-20 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 (3 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-20030055267-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten SKIC3, ORC3, MCM3 METAP2 1806/4885CCR1 180/4885RAB9A 4818/4885
US-20030036662-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten SKIC3, ORC3, MCM3 METAP2 1806/4885CCR1 180/4885RAB9A 4818/4885
US-20030036658-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten SKIC3, ORC3, MCM3 METAP2 1806/4885CCR1 180/4885RAB9A 4818/4885

“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.