SCHEMBL6543569

SCHEMBL6543569

CC(C)(C)c1cc(Cc2ccc[c]n2)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
GAA P10253 4/20 0.45
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
DHFR P00374 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
BLM P54132 2/20 0.41
ATM Q13315 2/20 0.41
HIF1A Q16665 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GMNN O75496 1/20 0.41

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
SCHEMBL6544806 0.80 SHBG (0.39) ALDH1A1CA2CA1POLB
SCHEMBL6544830 0.76 ALDH1A1 (0.42) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL6543528 0.74 CA2 (0.50) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
Benzene SCHEMBL9807217 0.73 ALDH1A1 (0.59) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL39559 0.73 ALDH1A1 (0.63) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL6543577 0.73 ESR1 (0.46) CA2
SCHEMBL9338699 0.71 ALDH1A1 (0.57) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL6544776 0.71 ALDH1A1 (0.49) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL526641 0.71 ALDH1A1 (0.61) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL1187217 0.71 MEN1 (0.57) ALDH1A1GAATSHRLMNAMAPT

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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 ALDH1A1 963/4885GAA 3460/4885TSHR 790/4885

“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.