SCHEMBL7049644

SCHEMBL7049644

[Li]CC(C)(C)CN1CCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PSMB1 P20618 1/20 0.30
PSMB5 P28074 1/20 0.30
PSMB2 P49721 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT8 Q9NR22 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
SCHEMBL7051044 1.00 LMNA (0.35) LMNAHRH3TSHRALDH1A1TDP1
SCHEMBL7050630 0.98 LMNA (0.36) LMNATSHRTDP1ATMCARM1
SCHEMBL11501574 0.82 LMNA (0.36) LMNAHRH3TSHRALDH1A1TDP1
SCHEMBL12718302 0.78 ALDH1A1 (0.37) LMNAHRH3TSHRALDH1A1MEN1
SCHEMBL24926235 0.76 HRH3 (0.33) HRH3TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL6443996 0.76 TSHR (0.36) HRH3TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL11972631 0.76 CYP2D6 (0.41) LMNAHRH3TSHRALDH1A1TDP1
SCHEMBL6445428 0.76 TSHR (0.36) HRH3TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL5857647 0.76 TSHR (0.36) HRH3TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL2904075 0.76 HRH3 (0.33) HRH3TSHRALDH1A1TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114611-A1 Functionalized alkyllithium formulations with improved thermal stability and processes for making the same FMC CORPORATION 2003-06-19 US claimed
US-20030114592-A1 Processes for improving stability of living polymer chain ends FMC CORPORATION 2003-06-19 US claimed
WO-2000050478-A1 NOVEL FORMULATIONS OF ALKYLLITHIUMS WITH IMPROVED THERMAL STABILITY, PROCESSES TO PRODUCE THESE FORMULATIONS AND PROCESSES FOR USING THE SAME TO IMPROVE STABILITY OF LIVING POLYMER CHAIN ENDS FMC CORPORATION (US) 2000-08-31 WO claimed
US-5780551-A UNSYMMETRICALLY PROTECTED; FROM ONE OR MORE CONJUGATED DIENE OR ALKENYLAROMATIC COMPOUND FMC CORPORATION (US) 1998-07-14 US claimed
US-20030114611-A1 Functionalized alkyllithium formulations with improved thermal stability and processes for making the same FMC CORPORATION 2003-06-19 US disclosed
US-20030114592-A1 Processes for improving stability of living polymer chain ends FMC CORPORATION 2003-06-19 US disclosed
WO-2000050478-A1 NOVEL FORMULATIONS OF ALKYLLITHIUMS WITH IMPROVED THERMAL STABILITY, PROCESSES TO PRODUCE THESE FORMULATIONS AND PROCESSES FOR USING THE SAME TO IMPROVE STABILITY OF LIVING POLYMER CHAIN ENDS FMC CORPORATION (US) 2000-08-31 WO disclosed
US-5780551-A UNSYMMETRICALLY PROTECTED; FROM ONE OR MORE CONJUGATED DIENE OR ALKENYLAROMATIC COMPOUND FMC CORPORATION (US) 1998-07-14 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-20030114611-A1 Functionalized alkyllithium formulations with improved thermal stability and processes for making the same AAAS, AS3MT, APC LMNA 892/4885HRH3 4782/4885TSHR 2597/4885

“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.