SCHEMBL4158903

SCHEMBL4158903

O=C(C=CC1CCCN(C(=O)O)C1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
RECQL P46063 2/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
PLIN1 O60240 2/20 0.39
MAPT P10636 2/20 0.39
PLIN5 Q00G26 2/20 0.39
ABHD5 Q8WTS1 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACHE P22303 2/20 0.38
BCHE P06276 1/20 0.38
TNFRSF1A P19438 1/20 0.38
MAOB P27338 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4158896 1.00 HPGD (0.41) HPGDRECQLALDH1A1LMNAPLIN1
SCHEMBL4149874 0.82 ACHE (0.44) HPGDRECQLALDH1A1LMNAPLIN1
SCHEMBL4149871 0.82 ACHE (0.44) HPGDRECQLALDH1A1LMNAPLIN1
SCHEMBL22272411 0.80 PADI4 (0.49) HPGDRECQLALDH1A1LMNAPLIN1
SCHEMBL19322686 0.79 PADI4 (0.50) HPGDRECQLALDH1A1LMNAPLIN1
SCHEMBL5194748 0.79 PADI4 (0.50) HPGDRECQLALDH1A1LMNAPLIN1
SCHEMBL5194755 0.79 PADI4 (0.50) HPGDRECQLALDH1A1LMNAPLIN1
SCHEMBL17064498 0.77 MAPT (0.52) HPGDRECQLALDH1A1LMNAPLIN1
SCHEMBL17064497 0.77 MAPT (0.52) HPGDRECQLALDH1A1LMNAPLIN1
SCHEMBL27159051 0.75 KDM4E (0.42) ALDH1A1LMNAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143429-A1 Quinoline Derivatives as Neurokinin Receptor Antagonists CRAWFORTH JAMES MICHAEL 2009-06-04 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-20090143429-A1 Quinoline Derivatives as Neurokinin Receptor Antagonists TACR2, TACR1, TACR3 HPGD 1061/4885RECQL 289/4885ALDH1A1 1675/4885

“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.