SCHEMBL6143604

SCHEMBL6143604

C[C@H](C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.64
RXRB P28702 6/20 0.64
RARB P10826 8/20 0.55
RARG P13631 8/20 0.55
RARA P10276 7/20 0.55
CYP26A1 O43174 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP26B1 Q9NR63 1/20 0.51
RXRG P48443 4/20 0.50
PTGS2 P35354 4/20 0.47
PTGS1 P23219 3/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
CDC42 P60953 1/20 0.47
RAC1 P63000 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
PPARG P37231 1/20 0.47
CRABP2 P29373 1/20 0.47

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
SCHEMBL6143601 1.00 RXRA (0.64) RXRARXRBRARBRARGRARA
SCHEMBL9350200 0.83 RXRA (0.64) RXRARXRBRARBRARGRARA
SCHEMBL7871498 0.83 RXRA (0.64) RXRARXRBRARBRARGRARA
SCHEMBL8839019 0.82 RXRA (0.58) RXRARXRBRARBRARGRARA
SCHEMBL8103031 0.81 RXRA (0.57) RXRARXRBRARBRARGRARA
SCHEMBL6145812 0.80 RXRA (0.57) RXRARXRBRARBRARGRARA
SCHEMBL6145811 0.80 RXRA (0.57) RXRARXRBRARBRARGRARA
SCHEMBL6147437 0.80 RARB (0.57) RXRARXRBRARBRARGRARA
SCHEMBL3541162 0.79 RXRA (0.58) RXRARXRBRARBRARGRARA
SCHEMBL7422602 0.78 RXRA (1.00) RXRARXRBRARBRARGRARA

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-1280757-B1 NEW GAMMA SELECTIVE RETINOIDS HOFFMANN LA ROCHE (CH) 2005-08-17 EP disclosed
US-6603012-B2 RAR selective retinoid agonists HOFFMANN-LA ROCHE INC. 2003-08-05 US disclosed
EP-1280757-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-05 EP disclosed
US-20020026060-A1 RAR selective retinoid agonists F.HOFFMANN-LA ROCHE AG (CH) 2002-02-28 US disclosed
WO-2001083438-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 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-20020026060-A1 RAR selective retinoid agonists RARA, RARG, RARB RXRA 4/4885RXRB 6/4885RARB 3/4885

“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.