SCHEMBL6544776

SCHEMBL6544776

CC(C)(C)c1cc(Cc2cc[c]cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
TSHR P16473 4/20 0.49
GAA P10253 4/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
BLM P54132 2/20 0.47
ATM Q13315 2/20 0.47
HIF1A Q16665 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALOX15 P16050 2/20 0.47
GMNN O75496 1/20 0.47
GABBR2 O75899 1/20 0.47
TP53 P04637 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL9338699 0.87 ALDH1A1 (0.57) ALDH1A1TSHRGAALMNAMAPK1
SCHEMBL9579492 0.86 ALDH1A1 (0.49) ALDH1A1TSHRGAALMNAMAPK1
SCHEMBL39559 0.84 ALDH1A1 (0.63) ALDH1A1TSHRGAALMNAMAPK1
SCHEMBL526641 0.82 ALDH1A1 (0.61) ALDH1A1TSHRGAALMNAMAPK1
SCHEMBL292110 0.81 ESR1 (0.54) ALDH1A1TSHRGAALMNAMAPK1
SCHEMBL1187217 0.81 MEN1 (0.57) ALDH1A1TSHRGAALMNAMAPK1
Benzene SCHEMBL9807217 0.81 ALDH1A1 (0.59) ALDH1A1TSHRGAALMNAMAPK1
SCHEMBL5570178 0.80 ALDH1A1 (0.55) ALDH1A1TSHRGAALMNAMAPK1
Methylamine SCHEMBL27974836 0.79 ALDH1A1 (0.57) ALDH1A1TSHRGAALMNAMAPK1
SCHEMBL19730339 0.78 CA2 (0.54) ALDH1A1TSHRGAALMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116997253-A Space insect repellent composition S.C.庄臣父子公司 2023-11-03 CN claimed
CN-109843990-B Polypropylene film structure with prolonged service life 博里利斯股份公司 2021-09-14 CN claimed
CN-116997253-A Space insect repellent composition S.C.庄臣父子公司 2023-11-03 CN disclosed
CN-109843990-B Polypropylene film structure with prolonged service life 博里利斯股份公司 2021-09-14 CN disclosed
WO-2014121036-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 WO disclosed
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 963/4885TSHR 790/4885GAA 3460/4885

“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.