SCHEMBL6915906

SCHEMBL6915906

CC(C)c1cc(C(=O)COCc2ccccc2)cc(C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.44
NPC1 O15118 3/20 0.43
MAPT P10636 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
IDH1 O75874 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL6915903 0.88 MRGPRX4 (0.43) GLRA1NPC1MAPTMRGPRX4PTPRC
SCHEMBL7262190 0.80 KMT2A (0.47) NPC1MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL657234 0.79 TDP1 (0.55) NPC1MAPTPTPN1ALDH1A1TSHR
Chloroform SCHEMBL28141196 0.76 NPC1 (0.49) NPC1MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL6917611 0.73 L3MBTL1 (0.41) NPC1RXRATSHRSMN1; SMN2RAB9A
SCHEMBL9653413 0.73 NPC1 (0.65) NPC1MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL10165853 0.73 TSHR (0.50) NPC1MAPTPTPRCPTPN1ALDH1A1
SCHEMBL7612280 0.72 LOXL2 (0.54) NPC1MAPTMRGPRX4PTPN1ALDH1A1
SCHEMBL5307373 0.72 TDP1 (0.57) NPC1MAPTMRGPRX4PTPN1ALDH1A1
SCHEMBL27622766 0.72 LMNA (0.60) NPC1MAPTPTPN1ALDH1A1TSHR

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 GLRA1 239/4885NPC1 2224/4885MAPT 3765/4885

“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.