SCHEMBL5050784

SCHEMBL5050784

Cc1ccc(COc2cc(C=O)cc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.49
MAOB P27338 4/20 0.49
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
TACR2 P21452 1/20 0.40
CISD1 Q9NZ45 1/20 0.39
GAA P10253 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HNF4A P41235 1/20 0.37
AKR1C3 P42330 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL5047166 0.89 MAOB (0.48) MAOAMAOBALDH1A1HPGDSMN1; SMN2
SCHEMBL5048414 0.87 L3MBTL1 (0.38) MAOAMAOBALDH1A1MAPTSMN1; SMN2
SCHEMBL5044087 0.86 PTPN1 (0.41) MAOAMAOBALDH1A1SMN1; SMN2TACR2
SCHEMBL3068905 0.77 FDPS (0.42) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL3062968 0.75 FDPS (0.38) ALDH1A1HPGDMAPTSMN1; SMN2L3MBTL1
SCHEMBL8888085 0.74 MAPT (0.40) MAOAMAOBALDH1A1HPGDMAPT
SCHEMBL1406613 0.74 RXRA (0.39) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL5048450 0.74 MAOB (0.34) MAOAMAOBALDH1A1MAPTSMN1; SMN2
SCHEMBL5215156 0.71 TACR2 (0.61) MAOAMAOBALDH1A1HPGDMAPT
SCHEMBL5047066 0.71 AKR1C3 (0.42) MAOBALDH1A1LMNAAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326803-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-02-05 US disclosed
US-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-07 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-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG MAOA 2011/4885MAOB 2084/4885ALDH1A1 113/4885

“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.