SCHEMBL6915903

SCHEMBL6915903

CC(C)c1cc(COCC(=O)c2ccccc2)cc(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 5/20 0.40
USP5 P45974 1/20 0.40
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 3/20 0.38
GLRA1 P23415 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CES1 P23141 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6915906 0.88 GLRA1 (0.44) MRGPRX4NPC1RAB9AMAPTKMT2A
SCHEMBL7262188 0.80 TACR1 (0.50) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL657234 0.79 TDP1 (0.55) NPC1RAB9AMAPTKMT2ASMN1; SMN2
Chloroform SCHEMBL28141196 0.76 NPC1 (0.49) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL3650054 0.74 RAB9A (0.49) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL1872900 0.73 TACR1 (0.52)
SCHEMBL864716 0.73 MAPT (0.61) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL4689393 0.73 RAB9A (0.56) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL27499328 0.73 LMNA (0.48) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL8888362 0.72 MRGPRX4 (0.57) MRGPRX4NPC1RAB9AKMT2ASMN1; 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-20040019072-A1 Dimer-selective RXR modulators and methods for their use CANAN-KOCH STACIE (US) 2004-01-29 US disclosed
EP-1336600-A2 Dimer-selective RXR modulators and methods for their use LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-08-20 EP disclosed
US-6545049-B1 E.g., (2E, 4E, 6E)-7-(3,5-diisopropyl-2-n-heptyloxyphenyl)-3-methylocta-2,4,6-trienoic acid, esters or amides thereof LIGAND PHARMACEUTICALS INCORPORATED 2003-04-08 US disclosed
EP-0873295-B1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARM INC (US) 2003-04-02 EP disclosed
EP-0873295-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 1998-10-28 EP disclosed
WO-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 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-20040019072-A1 Dimer-selective RXR modulators and methods for their use RXRG, RXRB, RXRA MRGPRX4 453/4885NPC1 2224/4885RAB9A 3624/4885

“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.