SCHEMBL6223337

SCHEMBL6223337

COC(=O)c1ccc(Oc2cc(C)c3c(c2)C(C)(C)CCO3)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ RARA P10276 1/20 0.39
▸ RARB P10826 1/20 0.39
▸ RARG P13631 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SSTR5 P35346 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FPR1 P21462 1/20 0.35
▸ GNRHR P30968 1/20 0.35
▸ GPR183 P32249 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ CYP26A1 O43174 1/20 0.34
▸ CYP26B1 Q9NR63 1/20 0.34

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
SCHEMBL6673229 0.82 GNRHR (0.57) ALDH1A1MAPTFPR1GNRHRGPR183
SCHEMBL6670624 0.80 GNRHR (0.47) ALDH1A1MAPTKLKB1FPR1GNRHR
SCHEMBL6265600 0.79 RARB (0.45) NPC1RAB9ARARARARBRARG
SCHEMBL6642519 0.78 GNRHR (0.57) ALDH1A1MAPTKLKB1L3MBTL1GNRHR
SCHEMBL6225457 0.73 GAA (0.44) NPC1RAB9AMAPTKLKB1GNRHR
SCHEMBL6668946 0.73 GNRHR (0.51) NPC1RAB9ARARARARBRARG
SCHEMBL5765891 0.70 HTT (0.50) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL28105591 0.69 CA1 (0.50) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL6226238 0.68 RARG (0.42) NPC1RAB9ARARGALDH1A1MAPT
SCHEMBL5765274 0.68 HTT (0.49) NPC1RAB9AALDH1A1MAPTHTT

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-20050250846-A1 Non-peptide GnRH agents, pharmaceutical compositions and methods for their use ANDERSON MARK B 2005-11-10 — — US disclosed
EP-1560818-A1 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE PFIZER INC. (US) 2005-08-10 — — EP disclosed
US-6903132-B2 Non-peptide GnRH agents, pharmaceutical compositions and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-06-07 — — US disclosed
US-20040014787-A1 Non-peptide GnRH agents, pharmaceutical compositions and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-01-22 — — US disclosed
WO-2003106446-A1 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE PFIZER INC. (US) 2003-12-24 — — 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 (2 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-20050250846-A1 Non-peptide GnRH agents, pharmaceutical compositions and methods for their use GNRHR, LHCGR, FSHR NPC1 1682/4885RAB9A 2169/4885RARA 2611/4885
US-20040014787-A1 Non-peptide GnRH agents, pharmaceutical compositions and methods for their use GNRHR, LHCGR, FSHR NPC1 1682/4885RAB9A 2169/4885RARA 2611/4885

“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