SCHEMBL6029652

SCHEMBL6029652

CC1(C)COC(C)(C)c2cc(Cl)c(-c3cc(C=C4SC(=O)NC4=O)ccc3OC(F)(F)F)cc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.52
SCN9A Q15858 1/20 0.49
PIM1 P11309 4/20 0.47
PIM2 Q9P1W9 4/20 0.47
ESRRA P11474 3/20 0.45
HPGD P15428 8/20 0.43
PDE4B Q07343 1/20 0.42
PIM3 Q86V86 1/20 0.42
IGF1R P08069 1/20 0.42
TTR P02766 1/20 0.41
CISD1 Q9NZ45 1/20 0.41
CYP3A4 P08684 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40

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
SCHEMBL6029646 1.00 RXRA (0.52) RXRASCN9APIM1PIM2ESRRA
SCHEMBL6028228 0.90 RXRA (0.63) RXRASCN9APIM1PIM2ESRRA
SCHEMBL6028226 0.90 RXRA (0.63) RXRASCN9APIM1PIM2ESRRA
SCHEMBL6028802 0.84 RXRA (0.38) RXRA
SCHEMBL304434 0.79 RXRA (0.69) RXRASCN9APIM1PIM2ESRRA
SCHEMBL5484611 0.79 RXRA (0.57) RXRASCN9APIM1PIM2ESRRA
SCHEMBL5484607 0.79 RXRA (0.57) RXRASCN9APIM1PIM2ESRRA
SCHEMBL14492768 0.79 RXRA (0.57) RXRASCN9APIM1PIM2ESRRA
SCHEMBL1619112 0.79 RXRA (0.69) RXRASCN9APIM1PIM2ESRRA
SCHEMBL304433 0.79 RXRA (0.69) RXRASCN9APIM1PIM2ESRRA

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 6 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 claimed
US-20050038098-A1 Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases INCYTE CORPORATION 2005-02-17 US claimed
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 claimed
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 1054/4885SCN9A 4598/4885PIM1 708/4885

“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.