SCHEMBL4897578

SCHEMBL4897578

Cc1ccc(Cn2c(-c3ccc(Oc4ccc5[nH]c(C(=O)O)cc5c4)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.53
NR1H2 P55055 3/20 0.53
NR1H3 Q13133 3/20 0.53
KMT2A Q03164 1/20 0.41
PIN1 Q13526 1/20 0.38
RHEB Q15382 1/20 0.35
GLA P06280 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
XDH P47989 1/20 0.35
FLT3 P36888 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 3/20 0.34
AR P10275 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
SRD5A2 P31213 1/20 0.33

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
SCHEMBL4901409 0.92 RXRA (0.46) RXRANR1H2NR1H3PIN1GLA
SCHEMBL2387472 0.92 RXRA (0.49) RXRANR1H2NR1H3KMT2AGLA
SCHEMBL4904765 0.92 RXRA (0.49) RXRANR1H2NR1H3KMT2AGLA
SCHEMBL4897266 0.92 RXRA (0.49) RXRANR1H2NR1H3KMT2AGLA
SCHEMBL4904411 0.91 RXRA (0.48) RXRANR1H2NR1H3KMT2AGLA
SCHEMBL4907552 0.91 RXRA (0.48) RXRANR1H2NR1H3KMT2AGLA
SCHEMBL4904862 0.90 RXRA (0.47) RXRANR1H2NR1H3KMT2AALDH1A1
SCHEMBL4897439 0.90 RXRA (0.47) RXRANR1H2NR1H3KMT2AALDH1A1
SCHEMBL5792128 0.89 RXRA (0.53) RXRANR1H2NR1H3KMT2ARHEB
SCHEMBL4902545 0.89 RXRA (0.47) RXRANR1H2NR1H3KMT2AGLA

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 7 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
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
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 RXRA 20/4885NR1H2 1/4885NR1H3 3/4885

“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.