SCHEMBL56804

SCHEMBL56804

CCc1cc(CC)c(O)c(C(C)(C)CC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.61
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 4/20 0.35
TSHR P16473 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
MAPK1 P28482 2/20 0.35
BLM P54132 2/20 0.35
ATM Q13315 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
CYP2D6 P10635 1/20 0.35
GAA P10253 5/20 0.34
LMNA P02545 2/20 0.34
ESR1 P03372 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
SCHEMBL14557202 0.91 HSPA5 (0.74) HSPA5GABRA1GABRB2KMT2AALDH1A1
SCHEMBL2070812 0.88 HSPA5 (0.53) HSPA5KMT2AALDH1A1MEN1TSHR
SCHEMBL3809037 0.86 HSPA5 (0.46) HSPA5GABRA1GABRB2KMT2AALDH1A1
SCHEMBL7792869 0.85 HSPA5 (0.45) HSPA5ALDH1A1TSHRHIF1ACYP1A2
SCHEMBL57329 0.85 HSPA5 (0.82) HSPA5KMT2AALDH1A1MEN1TSHR
SCHEMBL2910785 0.84 HSPA5 (0.44) HSPA5GABRA1GABRB2KMT2AALDH1A1
SCHEMBL7796395 0.82 HSPA5 (0.43) HSPA5KMT2AMEN1TSHRHIF1A
SCHEMBL1174207 0.81 HSPA5 (0.55) HSPA5GABRA1GABRB2ALDH1A1HIF1A
SCHEMBL17471441 0.81 ESR1 (0.42) HSPA5GABRA1GABRB2KMT2AALDH1A1
SCHEMBL10454472 0.80 HSPA5 (0.39) HSPA5GABRA1GABRB2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812543-B2 STABILIZED PROPYL BROMIDE COMPOSITIONS ALBEMARLE CORP (US) 2014-03-05 EP disclosed
US-8129325-B2 mononuclear phenolic compound free of unsaturation, such as 2,6-Di-tert-butyl-4-methylphenol as stabilizer; use cold cleaning of electrical and mechanical parts ALBERMARLE CORPORATION (US) 2012-03-06 US disclosed
CN-101171218-B 1-bromopropane having low acidity ALBEMARLE CORP. (US) 2011-12-07 CN disclosed
CN-101052704-B Stabilized propyl bromide compositions ALBEMARLE CORP 2011-03-23 CN disclosed
EP-1812543-B1 STABILIZED PROPYL BROMIDE COMPOSITIONS ALBEMARLE CORP (US) 2010-04-21 EP disclosed
US-20090253608-A1 Stabilized Propyl Bromide Compositions ALBEMARLE CORPORATION (US) 2009-10-08 US disclosed
US-20080177116-A1 1-Bromopropane Having Low Acidity ALBEMARLE CORPORATION (US) 2008-07-24 US disclosed
CN-101171218-A 1-bromopropane having low acidity ALBEMARLE CORP (US) 2008-04-30 CN disclosed
EP-1883615-A2 1-BROMOPROPANE HAVING LOW ACIDITY ALBEMARLE CORPORATION (US) 2008-02-06 EP disclosed
CN-101052704-A Stabilized propyl bromide compositions ALBEMARLE CORP (US) 2007-10-10 CN disclosed
EP-1812543-A1 STABILIZED PROPYL BROMIDE COMPOSITIONS ALBEMARLE CORPORATION (US) 2007-08-01 EP disclosed
WO-2006119212-A2 1-BROMOPROPANE HAVING LOW ACIDITY ALBEMARLE CORPORATION (US) 2006-11-09 WO disclosed
WO-2006052241-A1 STABILIZED PROPYL BROMIDE COMPOSITIONS ALBEMARLE CORPORATION (US) 2006-05-18 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-20090253608-A1 Stabilized Propyl Bromide Compositions PGGT1B, TERB1, NFKB2 HSPA5 228/4885GABRA1 1329/4885GABRB2 277/4885
US-20080177116-A1 1-Bromopropane Having Low Acidity BET1, BRD1, BRD4 HSPA5 2029/4885GABRA1 117/4885GABRB2 395/4885

“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.