SCHEMBL6790873

SCHEMBL6790873

C=C1CC(CCc2ccc(OC)cc2)OC1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
DAO P14920 2/20 0.39
NR1H3 Q13133 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL7764957 0.81 CRBN (0.48) CYP3A4ALDH1A1DAONPC1RAB9A
SCHEMBL18214339 0.78 CYP3A4 (0.78) CYP3A4DRD2DRD4DRD3ALDH1A1
SCHEMBL30330184 0.74 CYP19A1 (0.50) CYP3A4POLB
SCHEMBL8805151 0.74 DRD2 (0.53) DRD2DRD4DRD3TAAR1SIGMAR1
SCHEMBL19294797 0.72 CYP3A4 (0.34) CYP3A4
SCHEMBL12019823 0.72 MAOB (0.57) CYP3A4ALDH1A1TDP1NPC1RAB9A
SCHEMBL16982213 0.70 MEN1 (0.39) ALDH1A1NPC1RAB9A
SCHEMBL8396285 0.70 KAT2A (0.39) POLB
SCHEMBL10295293 0.70 MAPT (0.50) ALDH1A1TDP1NPC1RAB9A
SCHEMBL8027251 0.69 DRD2 (0.39) CYP3A4DRD2DRD4DRD3ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818780-B2 APPLICATION IN MEDICINE FOR TREATMENT OF DISORDERS OF IMMUNOLOGICAL SYSTEM CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2004-11-16 US disclosed
EP-1284263-B1 DERIVATIVES OF P- HYDROXY PHENYL PROPIONIC ACID AS ANTIPROLIFERATIVE AGENTS CONSEJO SUPERIOR INVESTIGACION (ES) 2003-12-10 EP disclosed
US-20030199575-A1 P-hydroxyphenyl propionic acid derivatives as antiproliferative agents CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2003-10-23 US disclosed
EP-1284263-A1 DERIVATIVES OF P- HYDROXY PHENYL PROPIONIC ACID AS ANTIPROLIFERATIVE AGENTS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2003-02-19 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-20030199575-A1 P-hydroxyphenyl propionic acid derivatives as antiproliferative agents P4HA1, PAH, VHL CYP3A4 2191/4885DRD2 4248/4885DRD4 2709/4885

“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.