SCHEMBL8773034

SCHEMBL8773034

Cc1ccc(CC(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.46
TAAR1 Q96RJ0 4/20 0.43
SLC6A2 P23975 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
ACHE P22303 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
AGXT P21549 2/20 0.41
ACACB O00763 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PSMB5 P28074 1/20 0.39

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
SCHEMBL2375800 0.86 TAAR1 (0.46) TAAR1SLC6A2CYP2A6
SCHEMBL30556750 0.84 IDO1 (0.46) IDO1TAAR1CYP1A2CYP2A6ACHE
SCHEMBL29202576 0.82 HPGD (0.46) IDO1TAAR1SLC6A2CYP1A2CYP2A6
SCHEMBL29018029 0.82 IDO1 (0.44) IDO1TAAR1CYP1A2CYP2A6ACHE
SCHEMBL13862138 0.82 HPGD (0.46) IDO1TAAR1SLC6A2CYP1A2CYP2A6
SCHEMBL4376445 0.82 HPGD (0.46) IDO1TAAR1SLC6A2CYP1A2CYP2A6
SCHEMBL24785864 0.80 NR3C2 (0.46) IDO1TAAR1CYP1A2CYP2A6PSMB5
SCHEMBL11144044 0.80 IDO1 (0.42) IDO1TAAR1CYP1A2CYP2A6ACHE
SCHEMBL115445 0.80 TRPA1 (0.45) IDO1TAAR1SLC6A2CYP1A2CYP2A6
SCHEMBL28288968 0.80 IDO1 (0.42) IDO1TAAR1CYP1A2CYP2A6ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367662-B2 Organic compounds NOVARTIS AG (CH) 2013-02-05 US disclosed
US-8367662-B2 Organic compounds NOVARTIS AG (CH) 2013-02-05 US disclosed
US-20100210641-A1 Organic Compounds NOVARTIS AG (CH) 2010-08-19 US disclosed
US-20100210641-A1 Organic Compounds NOVARTIS AG (CH) 2010-08-19 US disclosed
EP-0383995-B1 Aromatic thermosetting resins and preparation thereof SUMIKIN CHEMICAL (JP) 1997-10-15 EP disclosed
US-5017683-A Organic acid catalyst SUMIKIN CHEMICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0383995-A2 Aromatic thermosetting resins and preparation thereof SUMIKIN CHEMICAL CO., LTD. (JP) 1990-08-29 EP 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-20100210641-A1 Organic Compounds ALK, ACVR1, ACVRL1 IDO1 3471/4885TAAR1 609/4885SLC6A2 4063/4885

“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.