SCHEMBL6032715

SCHEMBL6032715

CCC(Oc1ccccc1)C(=O)N1CCC(C(C)=O)(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ OPRM1 P35372 5/20 0.43
▸ OPRD1 P41143 5/20 0.43
▸ OPRK1 P41145 4/20 0.43
▸ SLC22A1 O15245 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43

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
SCHEMBL6031094 0.87 TSHR (0.52) TSHRHSD17B10MEN1KMT2ARAB9A
SCHEMBL29516479 0.81 TSHR (0.65) TSHRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL18068774 0.75 OPRM1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL6030899 0.75 MEN1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL13774957 0.74 CA12 (0.59) HSD17B10CA12CA1CA2CA7
SCHEMBL2636624 0.74 CA12 (0.59) TSHRCA12CA1CA2CA7
SCHEMBL8029589 0.74 TSHR (0.61) TSHRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL8762171 0.74 FNTA (0.65) TSHRCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL8887455 0.73 TSHR (0.60) TSHRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL6224640 0.73 OPRD1 (0.42) CA12CA1CA2CA7CA9

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
US-20060058351-A1 Novel ligands that modulate LXR-type receptors and cosmetic/pharmaceutical applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-03-16 — — US claimed
EP-1599447-A1 LIGANDS THAT MODULATE LXR-TYPE RECEPTORS Galderma Research & Development, S.N.C. (FR) 2005-11-30 — — EP claimed
WO-2004076418-A1 LIGANDS THAT MODULATE LXR-TYPE RECEPTORS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-09-10 — — WO claimed
US-20060058351-A1 Novel ligands that modulate LXR-type receptors and cosmetic/pharmaceutical applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-03-16 — — US disclosed
EP-1599447-A1 LIGANDS THAT MODULATE LXR-TYPE RECEPTORS Galderma Research & Development, S.N.C. (FR) 2005-11-30 — — EP disclosed
WO-2004076418-A1 LIGANDS THAT MODULATE LXR-TYPE RECEPTORS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-09-10 — — 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-20060058351-A1 Novel ligands that modulate LXR-type receptors and cosmetic/pharmaceutical applications thereof NR1H2, NR1H3, RXRG TSHR 87/4885HSD17B10 235/4885CA12 4836/4885

“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.

Send feedback