SCHEMBL4653379

SCHEMBL4653379

CC1=Cc2c(cc(C(C)C)cc2-c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.41
LMNA P02545 2/20 0.33
PTGS1 P23219 3/20 0.31
MEN1 O00255 2/20 0.31
PTGS2 P35354 2/20 0.31
KMT2A Q03164 2/20 0.31
FABP2 P12104 1/20 0.31
TSHR P16473 1/20 0.31
AKR1C4 P17516 1/20 0.31
ADRA2B P18089 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2C P28335 1/20 0.31
DRD3 P35462 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 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
SCHEMBL4203318 0.80 PSMB5 (0.38) METAP2LMNATSHRMAPTHPGD
SCHEMBL2482030 0.78 DHODH (0.37) METAP2PTGS1PTGS2HTR2CCYP1A2
SCHEMBL2962655 0.78 AKR1C3 (0.38) TSHRAKR1C3AKR1C2AKR1C1HPGD
SCHEMBL3159359 0.77 METAP2 (0.40) METAP2LMNAPTGS1MEN1PTGS2
SCHEMBL29949127 0.75 ALDH1A1 (0.33) MAPTESR2
SCHEMBL14645967 0.75 ALDH1A1 (0.33) MAPTESR2
SCHEMBL3964697 0.75 GABRA1 (0.37)
SCHEMBL1453124 0.73
SCHEMBL1827132 0.73 PDCD1 (0.39) KMT2ATSHRHPGD
SCHEMBL30229874 0.73 PDCD1 (0.39) KMT2ATSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2746289-B1 Catalysts BOREALIS AG (AT) 2017-09-27 EP disclosed
US-9469699-B2 Catalysts BOREALIS AG (AT) 2016-10-18 US disclosed
US-20160002369-A1 CATALYSTS BOREALIS AG (AT) 2016-01-07 US disclosed
WO-2014096164-A1 CATALYSTS BOREALIS AG (AT) 2014-06-26 WO disclosed
EP-2746289-A1 Catalysts Borealis AG (AT) 2014-06-25 EP disclosed
EP-1971621-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS ExxonMobil Chemical Patents Inc. (US) 2008-09-24 EP disclosed
WO-2007070045-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 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-20160002369-A1 CATALYSTS SIGMAR1, SFN, AP3S1 METAP2 3048/4885LMNA 2545/4885PTGS1 4543/4885

“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.