SCHEMBL6131373

SCHEMBL6131373

CC1=C(C)C(C)C(c2ccccc2N(C)C)=C1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NSD2 O96028 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNN4 O15554 1/20 0.32
CHEK1 O14757 1/20 0.32
NEK2 P51955 1/20 0.32
LIMK1 P53667 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL31645774 1.00 MAPT (0.36) MAPTALDH1A1NSD2EGFRLMNA
SCHEMBL3199976 0.71 ALDH1A1 (0.44) ALDH1A1LMNATDP1GAATSHR
SCHEMBL2919461 0.71 MAPT (0.52) MAPTALDH1A1NSD2EGFRLMNA
SCHEMBL28343364 0.70 CRHBP (0.38) ALDH1A1LMNATSHRKDM4E
SCHEMBL3197827 0.70 TSHR (0.42) ALDH1A1GAATSHRKDM4E
SCHEMBL17721318 0.69
SCHEMBL3212320 0.69 GABRA1 (0.31)
Hydrochloric Acid SCHEMBL7249040 0.69
SCHEMBL3211775 0.69 USP1 (0.30)
SCHEMBL3686925 0.69 ALDH1A1 (0.35) ALDH1A1LMNAL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919412-B1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten with a donor bridge BASELL POLYOLEFINE GMBH (DE) 2005-07-19 US 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
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 MAPT 3160/4885ALDH1A1 4462/4885NSD2 844/4885
US-20030036662-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten SKIC3, ORC3, MCM3 MAPT 3160/4885ALDH1A1 4462/4885NSD2 844/4885
US-20030036658-A1 Monocyclopentadienyl complexes of chromium, molybdenum or tungsten SKIC3, ORC3, MCM3 MAPT 3160/4885ALDH1A1 4462/4885NSD2 844/4885

“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.