SCHEMBL2894632

SCHEMBL2894632

CC1(C)CCCc2cc(C(=O)O)c(O)nc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.45
RXRB P28702 3/20 0.45
RXRG P48443 3/20 0.45
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RARB P10826 7/20 0.33
RARA P10276 3/20 0.33
TSHR P16473 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
RARG P13631 4/20 0.32

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
SCHEMBL2896227 0.91 POLB (0.39) RXRARXRBRXRGPOLBRARB
SCHEMBL22982796 0.85 POLB (0.49) RXRARXRBRXRGPOLBKDM4E
SCHEMBL29862300 0.85 POLB (0.49) RXRARXRBRXRGPOLBKDM4E
SCHEMBL2894638 0.81 KDM4E (0.49) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL17648701 0.78 RXRA (0.42) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL17649193 0.75 KMT2A (0.44) RXRARXRBRXRGPOLBKDM4E
SCHEMBL2902560 0.72 KDM4E (0.45) KDM4EALDH1A1HPGDTSHR
SCHEMBL7913221 0.71 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL20619534 0.71 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30488939 0.71 KDM4E (0.46) POLBKDM4EALDH1A1HPGDHSD17B10

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
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP 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-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME REN, ACE, AGT RXRA 2549/4885RXRB 2865/4885RXRG 2763/4885

“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.