SCHEMBL2197626

SCHEMBL2197626

CC1(C)CCC(C)(C)c2cc(O)[c]cc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
RXRB P28702 11/20 0.35
RARB P10826 10/20 0.35
RARG P13631 9/20 0.35
RXRG P48443 8/20 0.35
RARA P10276 7/20 0.33
CYP26A1 O43174 2/20 0.33
CYP3A4 P08684 1/20 0.33
CRABP2 P29373 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33

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
SCHEMBL330266 0.77 RXRA (0.35) RXRARXRBRARBRARGRXRG
SCHEMBL15347776 0.72 RXRA (0.50) RXRATP53CYP1A2RXRBRARB
SCHEMBL5486085 0.72 RXRA (0.31) RXRARXRBRARBRARGRXRG
SCHEMBL4446990 0.72 RXRA (0.36) RXRATP53CYP1A2RXRBRARB
SCHEMBL5491284 0.72 RXRA (0.35) RXRARXRBRARBRARGRXRG
SCHEMBL11599145 0.71 RXRA (0.42) RXRATP53CYP1A2RXRBRARB
SCHEMBL5492492 0.71 RXRA (0.33) RXRARARBRARGRARA
SCHEMBL7583942 0.66 RARG (0.32) RXRARARBRARGRARACYP26A1
SCHEMBL5499418 0.66 RXRA (0.39) RXRARXRBRARBRARGRXRG
SCHEMBL18327675 0.65 RXRA (0.45) RXRATP53CYP1A2RXRBRARB

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
US-8765719-B2 Therapeutic drug for adult T-cell leukemia KAGOSHIMA UNIVERSITY (JP) 2014-07-01 US disclosed
EP-2345409-A1 THERAPEUTIC AGENT FOR ADULT T-CELL LEUKEMIA Kagoshima University (JP) 2011-07-20 EP disclosed
US-20110172185-A1 THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA KAGOSHIMA UNIVERSITY (JP) 2011-07-14 US disclosed
EP-1587779-A1 5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL 2,6-DIFLUOROHEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY Allergan, Inc. (US) 2005-10-26 EP disclosed
WO-2004065345-A1 5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL 2,6-DIFLUOROHEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY ALLERGAN, INC. (US) 2004-08-05 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-20110172185-A1 THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA CBR3, CD47, ATL3 RXRA 1135/4885TP53 1555/4885CYP1A2 1037/4885

“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.