SCHEMBL6916099

SCHEMBL6916099

O=C1CCc2ccccc2C1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
RET P07949 1/20 0.44
HTR2A P28223 1/20 0.44
ANPEP P15144 2/20 0.42
CES1 P23141 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP2A6 P11509 1/20 0.39
PIN1 Q13526 1/20 0.38
BLM P54132 1/20 0.37

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
SCHEMBL506278 0.87 ACP3 (0.56) ACP3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6514594 0.81 ANPEP (0.59) CYP1A2CYP2D6CYP2C9CYP2C19CAMK2A
SCHEMBL7742080 0.81 ANPEP (0.59) CYP1A2CYP2D6CYP2C9CYP2C19CAMK2A
SCHEMBL9385590 0.78 ACP3 (0.48) ACP3RETHTR2AANPEPCES1
SCHEMBL21847059 0.78 CYP1A2 (0.62) ACP3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28522303 0.78 ACP3 (0.48) ACP3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8901794 0.77 ACP3 (0.47) ACP3RETHTR2AANPEPCES1
SCHEMBL7124003 0.77 ACP3 (0.47) ACP3RETHTR2AANPEPCES1
SCHEMBL1161912 0.76 TSHR (0.49) ACP3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL529484 0.75 ACP3 (0.46) ACP3RETHTR2AANPEPCES1

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 3 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

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 ACP3 3323/4885CYP1A2 412/4885CYP2D6 754/4885

“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.