SCHEMBL3230882

SCHEMBL3230882

CC(C)CCCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
ALDH1A1 P00352 7/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 4/20 0.45
MAPK1 P28482 3/20 0.45
MEN1 O00255 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
BLM P54132 2/20 0.45
ATM Q13315 2/20 0.45
HIF1A Q16665 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GMNN O75496 1/20 0.45
GABBR2 O75899 1/20 0.45
TP53 P04637 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL4595287 1.00 GAA (0.47) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL4595179 1.00 GAA (0.47) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL4595934 0.94 PTGS2 (0.47) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL4595680 0.94 PTGS2 (0.47) GAAALDH1A1TSHRLMNAKMT2A
Propionic Acid SCHEMBL29043770 0.90 GAA (0.46) GAAALDH1A1TSHRLMNAKMT2A
Propionic Acid SCHEMBL31618954 0.90 GAA (0.46) GAAALDH1A1TSHRLMNAKMT2A
Propionic Acid SCHEMBL31618955 0.90 GAA (0.46) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL9472453 0.88 GAA (0.41) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL18193749 0.88 ALDH1A1 (0.57) GAAALDH1A1TSHRLMNAKMT2A
SCHEMBL3762751 0.88 ALDH1A1 (0.57) GAAALDH1A1TSHRLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010009275-A1 METHODS OF TREATING INFLAMMATION INTEGRITAS PHARMA, INC (US) 2010-01-21 WO claimed
EP-1416926-A4 ZINC CONTAINING COMPOSITIONS FOR ANTI-VIRAL USE SMITH JEFFREY B (US) 2009-03-04 EP claimed
US-7462369-B2 Anti-viral compositions and methods of making and using the anti-viral compositions Smith, Jeffrey B. (US) 2008-12-09 US claimed
US-20080274209-A1 METHODS OF TREATING INFLAMMATION INTEGRITAS PHARMA, INC. 2008-11-06 US claimed
CN-1305467-C Zinc-containing compositions for antiviral use SMITH J B (US) 2007-03-21 CN claimed
US-6855341-B2 Anti-viral compositions and methods of making and using the anti-viral compositions SMITH JEFFREY B (US) 2005-02-15 US claimed
US-20050003020-A1 Anti-viral compositions and methods of making and using the anti-viral compositions SMITH JEFFREY B (US) 2005-01-06 US claimed
CN-1533272-A Zinc-containing compositions for antiviral use J��B��ʷ��˹ 2004-09-29 CN claimed
EP-1416926-A2 ZINC CONTAINING COMPOSITIONS FOR ANTI-VIRAL USE Smith, Jeffrey B. (US) 2004-05-12 EP claimed
US-20040086575-A1 Anti-viral compositions and methods of making and using the anti-viral compositions SMITH JEFFREY B (US) 2004-05-06 US claimed
US-6730329-B1 TREATING LESIONOUS SYMPTOMS TOPICALLY WITH ACTIVE MATERIAL SALT AND ANTIOXIDANT SMITH JEFFREY B (US) 2004-05-04 US claimed
WO-2002098339-A2 ZINC CONTAINING COMPOSITIONS FOR ANTI-VIRAL USE SMITH JEFFREY B (US) 2002-12-12 WO claimed
US-6475526-B1 Zinc containing compositions for anti-viral use SMITH JEFFREY B (US) 2002-11-05 US claimed
EP-3844212-B1 EXTRUDABLE POLY(PROPYLENE) COATING COMPOSITIONS IBM (US) 2022-10-12 EP disclosed
US-10745579-B2 Extrudable poly(propylene) compositions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-08-18 US disclosed
US-20200071557-A1 EXTRUDABLE POLY(PROPYLENE) COMPOSITIONS INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-03-05 US disclosed
US-4584146-A Tetrakis(2,6-di-t-butyl-4-substituted phenyl)4,4'-bisphenyl diphosphites THE B. F. GOODRICH COMPANY (US) 1986-04-22 US disclosed
US-4552682-A Peroxide composition containing phenolic antioxidant PPG INDUSTRIES, INC. (US) 1985-11-12 US disclosed
US-4439570-A BUTADIENE RUBBERS, THIORGANO PHOSPHINE EUTECO IMPIANTI S.P.A. (IT) 1984-03-27 US disclosed
EP-0078244-A1 Phenolic antioxidant compositions for organic polymers EUTECO IMPIANTI S.p.A. (IT) 1983-05-04 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 (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-20080274209-A1 METHODS OF TREATING INFLAMMATION MPO, SOD1, MMP8 GAA 289/4885ALDH1A1 1341/4885TSHR 4761/4885
US-20040086575-A1 Anti-viral compositions and methods of making and using the anti-viral compositions ZC3HAV1, ZC3HAV1L, SOD3 GAA 168/4885ALDH1A1 3146/4885TSHR 4875/4885
US-20050003020-A1 Anti-viral compositions and methods of making and using the anti-viral compositions ZC3HAV1, ZC3HAV1L, SOD3 GAA 168/4885ALDH1A1 3146/4885TSHR 4875/4885

“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.