SCHEMBL6340706

SCHEMBL6340706

CC1(C)CCC(C)(C)c2c(OS(=O)(=O)C(F)(F)F)cc(-c3ccccc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.40
RARG P13631 3/20 0.40
RARA P10276 3/20 0.40
RXRA P19793 2/20 0.35
HNF4A P41235 1/20 0.35
DRD2 P14416 6/20 0.34
DRD3 P35462 5/20 0.34
DRD4 P21917 2/20 0.34
PTPN1 P18031 2/20 0.33
BACE1 P56817 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
HTR1D P28221 2/20 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
SCHEMBL1406438 0.78 HNF4A (0.32) RARBRARGRARARXRAHNF4A
SCHEMBL1406267 0.77 RXRA (0.37) RARBRARGRARARXRAHNF4A
SCHEMBL8345661 0.72 RARG (0.60) RARBRARGRARARXRA
SCHEMBL6347726 0.70 RARB (0.49) RARBRARGRARARXRAHNF4A
SCHEMBL15998741 0.70 HTT (0.39) PTPN1
SCHEMBL7478726 0.70 RARB (0.56) RARBRARGRARARXRAHNF4A
SCHEMBL6348359 0.70 RARB (0.46) RARBRARGRARARXRAHNF4A
SCHEMBL26498632 0.70 ADORA2A (0.47) DRD2DRD3PTPN1
SCHEMBL26498753 0.70 ADORA2A (0.47) DRD2DRD3PTPN1
SCHEMBL26498833 0.70 ADORA2A (0.47) DRD2DRD3PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849658-B2 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them GALDERMA RESEARCH & DEVELOPMENT (FR) 2005-02-01 US disclosed
US-20030216586-A1 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them GALDERMA RESEARCH & DEVELOPMENT 2003-11-20 US disclosed
US-6346546-B1 COMPOUNDS HAVING MARKED ACTIVITY IN FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION; TREATING SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-12 US disclosed
US-6103762-A A BIAROMATIC COMPOUNDS IN WHICH THE AROMATIC NUCLEI ARE CONNECTED BY A PROPYNYLENE OR ALLENYLENE DIVALENT RADICAL, USEFUL AS HUMAN OR VETERINARY MEDICINE OR USED IN COSMETICS OR KERATINIZATION DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2000-08-15 US 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-20030216586-A1 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them AR, SRR, MC3R RARB 120/4885RARG 136/4885RARA 47/4885

“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.