SCHEMBL3945829

SCHEMBL3945829

COc1ccc(-c2cc3c(c(C(=O)O)c2)OCCCC3)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ERN1 O75460 1/20 0.42
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
IDO1 P14902 8/20 0.41
BRD4 O60885 1/20 0.41
EP300 Q09472 1/20 0.41
CREBBP Q92793 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL4640351 0.93 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10NPC1MAPK1
SCHEMBL3935043 0.90 MAPK1 (0.42) KDM4EALDH1A1HSD17B10NPC1MAPK1
SCHEMBL4640372 0.84 JAK2 (0.46) KDM4EALDH1A1HSD17B10NPC1MAPK1
SCHEMBL4642112 0.82 KDM4E (0.46) KDM4EALDH1A1HSD17B10NPC1MAPK1
SCHEMBL4739429 0.79 SMN1; SMN2 (0.50) KDM4EALDH1A1NPC1MAPK1RAB9A
SCHEMBL4643990 0.78 PARP1 (0.40) KDM4ELMNA
SCHEMBL4640425 0.78 PARP1 (0.42) KDM4EALDH1A1HSD17B10NPC1MAPK1
SCHEMBL4641393 0.77 DHODH (0.47) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL4782247 0.77 ERN1 (0.42) KDM4EALDH1A1HSD17B10NPC1MAPK1
SCHEMBL4642110 0.76 KDM4E (0.40) KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US claimed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO claimed
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO 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-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 KDM4E 1126/4885ALDH1A1 388/4885HSD17B10 296/4885

“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.