SCHEMBL57329

SCHEMBL57329

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.82
ALDH1A1 P00352 7/20 0.49
KMT2A Q03164 4/20 0.49
TSHR P16473 3/20 0.49
HIF1A Q16665 3/20 0.49
MAPK1 P28482 3/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
BLM P54132 2/20 0.49
ATM Q13315 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
USP2 O75604 1/20 0.49
CYP2D6 P10635 1/20 0.49
GAA P10253 4/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 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
SCHEMBL14089294 0.93 HSPA5 (0.83) HSPA5ALDH1A1KMT2ATSHRHIF1A
SCHEMBL30599778 0.90 HSPA5 (1.00) HSPA5ALDH1A1KMT2ATSHRHIF1A
SCHEMBL2469319 0.90 HSPA5 (0.79) HSPA5ALDH1A1KMT2ATSHRHIF1A
SCHEMBL2349337 0.90 HSPA5 (0.73) HSPA5ALDH1A1KMT2ATSHRHIF1A
SCHEMBL27533 0.90 HSPA5 (1.00) HSPA5ALDH1A1KMT2ATSHRHIF1A
SCHEMBL9475586 0.89 HSPA5 (0.96) HSPA5ALDH1A1KMT2ATSHRHIF1A
SCHEMBL10822034 0.89 HSPA5 (0.66) HSPA5ALDH1A1KMT2ATSHRHIF1A
SCHEMBL18902069 0.89 HSPA5 (0.71) HSPA5ALDH1A1KMT2ATSHRHIF1A
SCHEMBL39434 0.87 HSPA5 (0.74) HSPA5ALDH1A1KMT2ATSHRHIF1A
SCHEMBL10821947 0.87 HSPA5 (0.64) HSPA5ALDH1A1KMT2ATSHRHIF1A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050010065-A1 Method for producing (meth) acrylic acid esters of polyhydric alcohols BASF AKTIENGESELLSCHAFT (DE) 2005-01-13 US claimed
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
US-20110100015-A1 GAS TURBINE SYSTEM TO INHIBIT COKE FORMATION AND METHODS OF USE GENERAL ELECTRIC COMPANY (US) 2011-05-05 US 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
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
EP-1055722-B1 OIL COMPOSITION FOR NON-STAGE TRANSMISSION JAPAN ENERGY CORP (JP) 2004-03-24 EP disclosed
US-6339132-B1 COMPRESSING IN COMPRESSOR UNREACTED VINYL CHLORIDE MONOMER RECOVERED FROM A PROCESS OF VINYL CHLORIDE POLYMER OR COPOLYMER PRODUCTION, IN CONTACT WITH LUBRICATING OIL FED INTO COMPRESSOR; DISCHARGING MIXTURE; SEPARTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-01-15 US disclosed
CN-1072259-C Lowly corrosive cleaner composition JAPAN ENERGY CORP (JP) 2001-10-03 CN disclosed
EP-1055722-A1 OIL COMPOSITION FOR NON-STAGE TRANSMISSION Japan Energy Corporation (JP) 2000-11-29 EP disclosed
CN-1159478-A Lowly corrosive cleaner composition JAPAN ENERGY CORP (JP) 1997-09-17 CN disclosed
US-5331034-A Deactivation of catalyst residues with ditrimethylolpropane HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-19 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 (3 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 228/4885ALDH1A1 3036/4885KMT2A 1347/4885
US-20080177116-A1 1-Bromopropane Having Low Acidity BET1, BRD1, BRD4 HSPA5 2029/4885ALDH1A1 137/4885KMT2A 1461/4885
US-20050010065-A1 Method for producing (meth) acrylic acid esters of polyhydric alcohols ADH1A, ADH1C, ADH5 HSPA5 1499/4885ALDH1A1 46/4885KMT2A 432/4885

“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.