SCHEMBL4901873

SCHEMBL4901873

CCOC(=O)c1cc2cc(Nc3ccc(-c4cc(C(F)(F)F)c(C#N)c(=O)n4Cc4ccc(C)cc4C)cc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MMP13 P45452 12/20 0.42
MMP2 P08253 7/20 0.42
RXRA P19793 2/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
MMP14 P50281 6/20 0.40
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL4897129 0.93 KDM4E (0.46) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4899625 0.92 RXRA (0.42) KDM4EALDH1A1HPGDRAB9ARXRA
SCHEMBL2387472 0.90 RXRA (0.49) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4905891 0.89 KDM4E (0.44) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4902740 0.88 RXRA (0.43) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4908004 0.87 RXRA (0.47) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4905892 0.85 RXRA (0.49) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4905275 0.85 RXRA (0.46) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4899645 0.84 RXRA (0.41) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4901409 0.84 RXRA (0.46) KDM4EALDH1A1HPGDHSD17B10MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US claimed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO claimed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO claimed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 KDM4E 2711/4885ALDH1A1 1094/4885HPGD 775/4885

“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.