SCHEMBL5086304

SCHEMBL5086304

CCC(C)C1=Cc2c(ccc3ccccc23)[CH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
HTR2A P28223 3/20 0.34
KDM4E B2RXH2 3/20 0.34
TSHR P16473 3/20 0.33
CYP2A6 P11509 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2C P28335 2/20 0.32
HPRT1 P00492 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
CYP1A2 P05177 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CES1 P23141 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL4473888 0.88 KDM4E (0.35) ALDH1A1HTR2AKDM4ETSHRCYP2A6
SCHEMBL4471085 0.85 KDM4E (0.35) ALDH1A1HTR2AKDM4ETDP1CYP1A2
SCHEMBL4464838 0.83 ALDH1A1 (0.38) ALDH1A1HTR2AKDM4ETSHRCYP2A6
SCHEMBL27478496 0.78 PPARG (0.32)
SCHEMBL27482635 0.76 CES1 (0.35) CES1
SCHEMBL27481935 0.76 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10
SCHEMBL4465018 0.74 GSTP1 (0.36) HTR2AKDM4ECYP2A6HTR2CCYP1A2
SCHEMBL27493412 0.73 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10
SCHEMBL27494192 0.73 CES1 (0.32) CES1
SCHEMBL3067122 0.72 TSHR (0.41) TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342078-B2 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2008-03-11 US disclosed
US-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYPROPYLEN GMBH (DE) 2003-08-07 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 (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-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins PORCN, PGR, PPOX ALDH1A1 3327/4885HTR2A 1747/4885KDM4E 3968/4885

“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.