SCHEMBL4015672

SCHEMBL4015672

CC1=C(OCC(C)C)CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLA2G7 Q13093 1/20 0.31
FFAR3 O14843 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
SCHEMBL6226096 0.89 ELANE (0.38) ELANEALDH1A1LMNAKDM4EPOLB
SCHEMBL24808574 0.79 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL4017179 0.79 ELANE (0.40) ELANEALDH1A1LMNAKDM4EMAPT
SCHEMBL1401935 0.76 ALDH1A1 (0.36) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL30049306 0.72 ELANE (0.31) ELANE
SCHEMBL12871708 0.71 ELANE (0.36) ELANEALDH1A1LMNAKDM4EMAPT
SCHEMBL25225746 0.70
SCHEMBL23032752 0.70 ELANE (0.36) ELANE
SCHEMBL28969722 0.69 ELANE (0.33) ELANEALDH1A1LMNAKDM4EATM
SCHEMBL23032628 0.68 ELANE (0.34) ELANE

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-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C ELANE 2471/4885ALDH1A1 434/4885LMNA 1869/4885

“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.