SCHEMBL5268328

SCHEMBL5268328

CCO/C=C\C(C)(O)C=CC1=C(C)CCCC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
HAO1 Q9UJM8 1/20 0.42
ALDH1A1 P00352 10/20 0.41
PTGS1 P23219 4/20 0.41
SLCO1B3 Q9NPD5 2/20 0.41
SLCO1B1 Q9Y6L6 2/20 0.41
LMNA P02545 2/20 0.41
DRD3 P35462 2/20 0.41
MAPT P10636 7/20 0.39
CYP3A4 P08684 6/20 0.39
APP P05067 4/20 0.39
SNCA P37840 4/20 0.39
ALOX15 P16050 3/20 0.39
MAPK1 P28482 3/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NR1I2 O75469 1/20 0.39
USP2 O75604 1/20 0.39
RBP4 P02753 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
SCHEMBL5268321 1.00 CYP1A2 (0.45) CYP1A2HAO1ALDH1A1PTGS1SLCO1B3
SCHEMBL5268330 1.00 CYP1A2 (0.45) CYP1A2HAO1ALDH1A1PTGS1SLCO1B3
SCHEMBL24126375 0.80 CYP1A2 (0.49) CYP1A2HAO1ALDH1A1PTGS1SLCO1B3
SCHEMBL6896309 0.79 CYP1A2 (0.53) CYP1A2HAO1ALDH1A1PTGS1SLCO1B3
SCHEMBL6896312 0.79 CYP1A2 (0.53) CYP1A2HAO1ALDH1A1PTGS1SLCO1B3
SCHEMBL22125376 0.78 CYP1A2 (0.51) CYP1A2HAO1ALDH1A1PTGS1SLCO1B3
SCHEMBL22125377 0.78 CYP1A2 (0.51) CYP1A2HAO1ALDH1A1PTGS1SLCO1B3
SCHEMBL7898750 0.77 CYP1A2 (0.57) CYP1A2HAO1ALDH1A1PTGS1SLCO1B3
SCHEMBL7898751 0.77 CYP1A2 (0.57) CYP1A2HAO1ALDH1A1PTGS1SLCO1B3
SCHEMBL10636871 0.76 ALDH1A1 (0.41) CYP1A2ALDH1A1PTGS1SLCO1B3SLCO1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1442014-B1 MANUFACTURE OF RETINOIDS DSM IP ASSETS BV (NL) 2007-03-21 EP disclosed
US-7067703-B2 Manufacture of retinoids DSM IP ASSETS B.V. (NL) 2006-06-27 US disclosed
US-20050014976-A1 Manufacture of retinoids DSM IP ASSETS B.V. (NL) 2005-01-20 US disclosed
EP-1442014-A1 MANUFACTURE OF RETINOIDS DSM IP Assets B.V. (NL) 2004-08-04 EP disclosed
WO-2003037856-A1 MANUFACTURE OF RETINOIDS DSM IP ASSETS B.V. (NL) 2003-05-08 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-20050014976-A1 Manufacture of retinoids RXRA, ALDH1A2, RXRB CYP1A2 516/4885HAO1 680/4885ALDH1A1 52/4885

“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.