SCHEMBL3244551

SCHEMBL3244551

CC1CC(N=C=O)CCC1CC1CCC(N=C=O)CC1C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.30

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
SCHEMBL2340481 0.84 ALDH1A1 (0.35) ALDH1A1CYP3A4
SCHEMBL17299359 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL1052082 0.78 ALDH1A1 (0.40) ALDH1A1
SCHEMBL23743499 0.78 ALDH1A1 (0.43) ALDH1A1
SCHEMBL452847 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL10508134 0.75 ALDH1A1 (0.38) ALDH1A1CYP3A4
SCHEMBL31347765 0.74 ALDH1A1 (0.38) ALDH1A1
SCHEMBL44159 0.73 ALDH1A1 (0.57) ALDH1A1CYP3A4
SCHEMBL10606453 0.73 ALDH1A1 (0.35) ALDH1A1CYP3A4
SCHEMBL8645589 0.72 ALDH1A1 (0.41) ALDH1A1

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
US-10555891-B2 Methods for treating chemically treated hair L'OREAL (FR) 2020-02-11 US disclosed
US-20180338900-A1 METHODS FOR TREATING CHEMICALLY TREATED HAIR L'OREAL (FR) 2018-11-29 US disclosed
US-8586695-B2 Polymerization catalyst for polythiourethane optical material, polymerizable composition containing the same, polythiourethane resin obtained from the composition, and process for producing the resin MITSUI CHEMICALS, INC. (JP) 2013-11-19 US disclosed
EP-1184364-B1 COMB-SHAPED DIOL, WATER-SOLUBLE POLYURETHANE, AND USE THEREOF MITSUI CHEMICALS INC (JP) 2010-07-28 EP disclosed
EP-1552818-A1 Release sustaining composition and sustained release preparation SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-07-13 EP disclosed
US-20050147676-A1 Release sustaining composition and sustained release preparation SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-07-07 US disclosed
US-6646093-B2 Extruding auxiliary for cement materials, a mortar thickening agent, an underwater concrete thickening agent, a ceramics forming binder and a moisturizer for hair cosmetics; water and shape retention. MITSUI CHEMICALS, INC. (JP) 2003-11-11 US disclosed
US-6515050-B1 An extruding auxiliary using the above novel water-soluble polyurethane; additive for underwater concrete MITSUI CHEMICALS, INC. (JP) 2003-02-04 US disclosed
US-20020045724-A1 Water-souluble polyurthane having comb-shaped hydrophobic group and application thereof MITSUI TAKEDA CHEMICALS, INC. (JP) 2002-04-18 US disclosed
EP-1184364-A1 COMB-SHAPED DIOL, WATER-SOLUBLE POLYURETHANE, AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2002-03-06 EP disclosed
US-4994208-A Curable blend of allyl carbonate, acrylated polyurethane and allyl acrylates PPG INDUSTRIES, INC. (US) 1991-02-19 US disclosed
WO-1990013580-A1 POLYOL(ALLYL CARBONATE) COMPOSITION PPG INDUSTRIES, INC. (US) 1990-11-15 WO disclosed
WO-1990012819-A1 PHOTOCHROMIC POLYMERIC ARTICLE PPG INDUSTRIES, INC. (US) 1990-11-01 WO disclosed
US-4914163-A HYDROLYZING REACTION PRODUCT OF DIISOCYANATE, HYDROGEN CYANIDE AND TOLIDINE DIISOCYANATE; POLYPARABANIC ACIDS TONEN SEKIYU KAGAKU KABUSHIKI KAISHA (JP) 1990-04-03 US disclosed
EP-0323219-A2 Process for preparing heterocyclic copolymers Tonen Chemical Corporation (JP) 1989-07-05 EP disclosed
US-4803019-A REACTING ISOCYANATE CURING AGENT AND BLOCKING AGENT THEN CURING PREPOLYMER MORTON THIOKOL, INC. (US) 1989-02-07 US disclosed
US-4184031-A Control of cure rate of polyurethane resins THIOKOL CORPORATION (US) 1980-01-15 US disclosed
US-4110135-A CURED HYDROXY TERMINATED POLYBUTADIENE BASED POLYURETHANE BOUND GRAIN THIOKOL CORPORATION (US) 1978-08-29 US disclosed
US-4041208-A ENERGY ABSORBERS, LAMINATED GLASS SHEETS USEFUL AS AUTOMOBILE WINDSHIELDS PPG INDUSTRIES, INC. (US) 1977-08-09 US disclosed
US-4002580-A HALOGENATED POLYOLS AND PHOSPHORUS COMPOUNDS GAF CORPORATION (US) 1977-01-11 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 (4 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-20050147676-A1 Release sustaining composition and sustained release preparation UFM1, UBQLN1, UBQLN2 ALDH1A1 780/4885CYP3A4 1415/4885
US-20180338900-A1 METHODS FOR TREATING CHEMICALLY TREATED HAIR SHH, PLOD2, PLOD3 ALDH1A1 219/4885CYP3A4 3098/4885
US-10555891-B2 Methods for treating chemically treated hair SHH, PLOD2, PLOD3 ALDH1A1 219/4885CYP3A4 3098/4885
US-20020045724-A1 Water-souluble polyurthane having comb-shaped hydrophobic group and application thereof BMI1, ASH2L, HAT1 ALDH1A1 804/4885CYP3A4 4462/4885

“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.