SCHEMBL6027768

SCHEMBL6027768

Cc1cc2c(cc1O)C(C)(C)COC2(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.35
RXRG P48443 6/20 0.33
RXRB P28702 5/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
G6PD P11413 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
CCR6 P51684 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6027262 0.81 FTO (0.44) RXRAHPGDHSD17B10RARGRARB
SCHEMBL6027714 0.79 RXRA (0.33) RXRARXRGRXRB
SCHEMBL6027545 0.79 RXRA (0.32) RXRARXRGRXRB
SCHEMBL6224470 0.77 RXRA (0.46) RXRARXRGRXRBALDH1A1CYP3A4
SCHEMBL6027643 0.73 OPRM1 (0.36) ALDH1A1CYP3A4
SCHEMBL6032048 0.72 MAPK1 (0.31) MAPK1
SCHEMBL30062005 0.72 ALDH1A1 (0.37) RXRARXRGRXRBALDH1A1CYP3A4
SCHEMBL218400 0.72 ALDH1A1 (0.37) RXRARXRGRXRBALDH1A1CYP3A4
SCHEMBL20411363 0.70 RXRA (0.55) RXRARXRGRXRBRARARARG
SCHEMBL12387988 0.70 KDM4E (0.35) RXRARXRGRXRBALDH1A1CYP3A4

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
EP-1643993-A2 SUBSTITUTED ISOCHROMAN COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS, CANCER AND OTHER DISEASES Incyte San Diego Incorporated (US) 2006-04-12 EP disclosed
US-20050038098-A1 Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases INCYTE CORPORATION 2005-02-17 US disclosed
WO-2004093809-A2 SUBSTITUTED ISOCHROMAN COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS, CANCER AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2004-11-04 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-20050038098-A1 Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases HSD17B10, IDH2, INSR RXRA 1054/4885RXRG 1487/4885RXRB 1191/4885

“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.