SCHEMBL3316653

SCHEMBL3316653

COC(=O)N1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
POLB P06746 1/20 0.50
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
HSD11B1 P28845 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
CYP2D6 P10635 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL16512381 1.00 ALDH1A1 (0.50) ALDH1A1POLBUSP2CYP1A2CYP2C9
SCHEMBL14827284 1.00 ALDH1A1 (0.50) ALDH1A1POLBUSP2CYP1A2CYP2C9
SCHEMBL304391 1.00 ALDH1A1 (0.50) ALDH1A1POLBUSP2CYP1A2CYP2C9
SCHEMBL12481132 1.00 ALDH1A1 (0.50) ALDH1A1POLBUSP2CYP1A2CYP2C9
SCHEMBL9987783 1.00 ALDH1A1 (0.50) ALDH1A1POLBUSP2CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL3575914 0.97 ALDH1A1 (0.48) ALDH1A1POLBUSP2CYP1A2CYP2C9
Bromide SCHEMBL22412595 0.97 ALDH1A1 (0.48) ALDH1A1POLBUSP2CYP1A2CYP2C9
Methyl Alcohol SCHEMBL11559156 0.97 ALDH1A1 (0.48) ALDH1A1POLBUSP2CYP1A2CYP2C9
SCHEMBL2263812 0.97
Bromide SCHEMBL19839447 0.95 CYP1A2 (0.48) ALDH1A1POLBUSP2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US claimed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 US claimed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 US disclosed
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 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 (2 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-20100004298-A1 P-38 INHIBITORS MAPK8, MAPK1, MAP3K8 ALDH1A1 3347/4885POLB 1714/4885USP2 2197/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 ALDH1A1 3687/4885POLB 2033/4885USP2 2302/4885

“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.