SCHEMBL4897281

SCHEMBL4897281

CCOC(=O)c1cc2cc(Oc3ccc(-c4cc(C(F)F)c(C#N)c(=O)n4Cc4ccc(C)cc4C)cc3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP13 P45452 7/20 0.40
MMP2 P08253 6/20 0.40
MMP14 P50281 4/20 0.40
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
RXRA P19793 1/20 0.36

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
SCHEMBL4904571 0.91 KDM4E (0.47) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2387472 0.89 RXRA (0.49) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4905892 0.83 RXRA (0.49) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4905275 0.83 RXRA (0.46) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4902203 0.82 RXRA (0.49) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4899346 0.82 RXRA (0.46) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4907552 0.82 RXRA (0.48) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4897129 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4897675 0.81 RXRA (0.46) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4904808 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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-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

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.