SCHEMBL4448135

SCHEMBL4448135

CC(C)(C)c1cc(C([O])=O)cc(C(C)(C)C)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
RECQL P46063 1/20 0.56
CA2 P00918 4/20 0.56
CA1 P00915 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.54
TYR P14679 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
ALOX5 P09917 2/20 0.53
PTGS1 P23219 2/20 0.53
PTGS2 P35354 2/20 0.53
GLRA3 O75311 1/20 0.52
GLRB P48167 1/20 0.52
GAA P10253 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
TNFRSF1A P19438 1/20 0.49
MEN1 O00255 1/20 0.48
GALR3 O60755 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL8495448 0.84 ALOX5 (0.65) LMNARECQLCA2CA1SMN1; SMN2
SCHEMBL47718 0.82 SMN1; SMN2 (0.59) LMNARECQLCA2CA1SMN1; SMN2
SCHEMBL227202 0.82 GLRA3 (0.63) LMNARECQLCA2CA1SMN1; SMN2
Hydrochloric Acid SCHEMBL1943524 0.80 GLRA3 (0.61) LMNARECQLCA2CA1SMN1; SMN2
SCHEMBL6136796 0.80 LMNA (0.55) LMNARECQLCA2CA1SMN1; SMN2
SCHEMBL10001153 0.80 LMNA (0.55) LMNARECQLCA2CA1SMN1; SMN2
SCHEMBL9355788 0.80 GLRA3 (0.61) LMNARECQLCA2CA1SMN1; SMN2
SCHEMBL4257166 0.80 LMNA (0.59) LMNARECQLCA2CA1SMN1; SMN2
SCHEMBL8659247 0.80 GLRA3 (0.61) LMNARECQLCA2CA1SMN1; SMN2
SCHEMBL9015699 0.80 LMNA (0.55) LMNARECQLCA2CA1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007128672-A1 SUBSTITUTED HEXAHYDRO-1,4-DIAZEPIN-5-ONES AND COMPOSITIONS STABILIZED THEREWITH CIBA HOLDING INC. (CH) 2007-11-15 WO claimed
US-20070256352-A1 Substituted hexahydro-1,4-diazepin-5-ones and compositions stabilized therewith WOOD MERVIN G 2007-11-08 US claimed
US-6905525-B2 Candle wax stabilized with piperazinones CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-06-14 US claimed
US-6783913-B2 POLYMERIC ACETAL RESIN CONTAINS UNITS (A), (B), (C), (D), AND (E). UNIT (A) IS A VINYL ALCOHOL UNIT. UNIT; (B) IS A POLYVINYL ACETAL UNIT CONTAINING AN R GROUP, WHERE R IS HYDROGEN, AN ALIPHATIC GROUP, AN AROMATIC GROUP, OR AN KODAK POLYCHROME GRAPHICS LLC 2004-08-31 US claimed
EP-1383832-A1 STABILIZED CANDLE WAX Ciba SC Holding AG (CH) 2004-01-28 EP claimed
US-20030198887-A1 Polymeric acetal resins containing free radical inhibitors and their use in lithographic printing EASTMAN KODAK COMPANY 2003-10-23 US claimed
EP-1350801-A1 Polymeric acetal resins containing free radical inhibitors and their use in lithographic printing Kodak Polychrome Graphics GmbH (DE) 2003-10-08 EP claimed
US-6562084-B2 Against discoloration and fading; also a UV absorber and/or an antioxidant CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-13 US claimed
US-6547840-B2 White, dyed, dipped, unscented and/or scented candle wax is effectively stabilized against discoloration and fading by the incorporation of an imidazolidine in combination with a UV absorber and/or an antioxidant CIBA SPECIALTY CHEMICALS CORPORATION 2003-04-15 US claimed
US-6544305-B2 White, dyed, dipped, unscented and/or scented candle wax is effectively stabilized against discoloration and fading by the incorporation of an imidazolidine in combination with a UV absorber and/or an antioxidant CIBA SPECIALTY CHEMICALS CORPORATION 2003-04-08 US claimed
US-6540795-B2 Stabilized against discoloration and fading CIBA SPECIALTY CHEMICALS CORPORATION 2003-04-01 US claimed
US-20030051392-A1 CANDLE WAX STABILIZED WITH PIPERAZINDIONES CIBA SPECIALTY CHEMICALS CORP. 2003-03-20 US claimed
US-20030000128-A1 Candle wax stabilized with oxazolidines CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 US claimed
US-20030000130-A1 Candle wax stabilized with piperazinones CIBA SPECIALITY CHEMICALS CORP. 2003-01-02 US claimed
US-20020194776-A1 Candle wax stabilized with imidazolidines CIBA SPECIALTY CHEMICALS CORP. 2002-12-26 US claimed
US-20020194777-A1 Candle wax stabilized with piperazinones CIBA SPECIALTY CHEMICALS CORP. 2002-12-26 US claimed
WO-2002079313-A1 STABILIZED CANDLE WAX CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 WO claimed
EP-0585155-B1 Trifluoromethylketone derivatives of peptides having HLE inhibiting activity, their preparation and pharmaceutical composition ADIR (FR) 1996-12-11 EP claimed
US-5565429-A HUMAN LEUCOCYTE ELASTASE INHIBITORS; EMPHYSEMA; ANTIARTHRITIC AGENTS; RHEUMATIC DISEASES ADIR ET COMPAGNIE (FR) 1996-10-15 US claimed
EP-0585155-A1 Trifluoromethylketone derivatives of peptides having HLE inhibiting activity, their preparation and pharmaceutical composition ADIR ET COMPAGNIE (FR) 1994-03-02 EP claimed

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-20070256352-A1 Substituted hexahydro-1,4-diazepin-5-ones and compositions stabilized therewith CRY1, GPX4, CAND1 LMNA 2321/4885RECQL 1309/4885CA2 3712/4885

“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.