SCHEMBL724324

SCHEMBL724324

COCCCCOCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.38
SPHK2 Q9NRA0 1/20 0.38
PIK3CD O00329 1/20 0.34
ALDH1A1 P00352 1/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 1/20 0.33
PRKD1 Q15139 1/20 0.33
LPAR1 Q92633 5/20 0.32
LPAR3 Q9UBY5 5/20 0.32
LPAR5 Q9H1C0 4/20 0.32

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
SCHEMBL8131220 0.95 PIK3CD (0.34) SPHK1SPHK2PIK3CDALDH1A1USP2
SCHEMBL10458440 0.95 PIK3CD (0.34) SPHK1SPHK2PIK3CDALDH1A1USP2
SCHEMBL11858528 0.89 SPHK1 (0.42) SPHK1SPHK2ALDH1A1USP2HTT
SCHEMBL10119365 0.86 SPHK1 (0.44) SPHK1SPHK2ALDH1A1USP2HTT
SCHEMBL31086433 0.86 SPHK1 (0.44) SPHK1SPHK2ALDH1A1USP2HTT
SCHEMBL1298691 0.83
SCHEMBL3962044 0.83 SPHK1 (0.38) SPHK1SPHK2ALDH1A1USP2HTT
SCHEMBL12396063 0.83 TDP1 (0.37) LPAR1LPAR3
SCHEMBL18387283 0.82 ALDH1A1 (0.38) SPHK1ALDH1A1USP2HTTPRKD3
SCHEMBL6535744 0.81 PIK3CD (0.36) PIK3CDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017075351-A1 POLYURETHANE BINDER CONTAINING ALCOHOL SOLVENT ASK CHEMICALS, L.P. (US) 2017-05-04 WO disclosed
US-9320685-B2 Dental compositions comprising ethylenically unsaturated addition-fragmentation agent 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-04-26 US disclosed
US-9295617-B2 Dental composition, method of producing and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-03-29 US disclosed
US-20150238389-A1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-08-27 US disclosed
US-9056043-B2 Dental compositions comprising ethylenically unsaturated addition-fragmentation agent 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-06-16 US disclosed
US-9012531-B2 Dental compositions comprising mixture of isocyanurate monomer and tricyclodecane monomer 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-04-21 US disclosed
EP-2598550-B1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALDEHYDES, MOLDING MATERIAL MIXTURE, AND METHOD ASK CHEMICALS GMBH (DE) 2014-12-31 EP disclosed
US-20140300031-A1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALS, MOLDING MATERIAL MIXTURE, AND METHOD ASK CHEMICALS GMBH (DE) 2014-10-09 US disclosed
US-20140220512-A1 DENTAL COMPOSITIONS COMPRISING MIXTURE OF ISOCYANURATE MONOMER AND TRICYCLODECANE MONOMER 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-08-07 US disclosed
US-8710113-B2 Dental composition, kit of parts and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-29 US disclosed
US-20130303655-A1 DENTAL COMPOSITION, METHOD OF PRODUCING AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-11-14 US disclosed
EP-2598550-A1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALDEHYDES, MOLDING MATERIAL MIXTURE, AND METHOD ASK Chemicals GmbH (DE) 2013-06-05 EP disclosed
US-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-05-02 US disclosed
WO-2012025084-A1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALDEHYDES, MOLDING MATERIAL MIXTURE, AND METHOD ASK CHEMICALS GMBH (DE) 2012-03-01 WO disclosed
US-4172068-A POLYOL, POLYISOCYANATE; ACETAL OR KETAL AS SOLVENT INTERNATIONAL MINERALS & CHEMICAL CORPORATION (US) 1979-10-23 US disclosed
US-4116916-A BINDER, PHENOL-FORMALDEHYDE RESIN, POLYISOCYANATE, SOLVENT INTERNATIONAL MINERALS & CHEMICAL CORP. (US) 1978-09-26 US disclosed
US-4051092-A CURABLE RESIN, POLYISOCYANATE INTERNATIONAL MINERALS & CHEMICAL CORPORATION (US) 1977-09-27 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-20130303655-A1 DENTAL COMPOSITION, METHOD OF PRODUCING AND USE THEREOF PAM, PTMS, ACR SPHK1 4868/4885SPHK2 4840/4885PIK3CD 2998/4885
US-20140220512-A1 DENTAL COMPOSITIONS COMPRISING MIXTURE OF ISOCYANURATE MONOMER AND TRICYCLODECANE MONOMER INTS9, INTS6, ERCC1 SPHK1 4859/4885SPHK2 4822/4885PIK3CD 2402/4885
US-20150238389-A1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT NR4A1, RXRG, RXRA SPHK1 4479/4885SPHK2 4412/4885PIK3CD 3449/4885
US-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF KIT, KDM5C, PHAX SPHK1 4707/4885SPHK2 4643/4885PIK3CD 1806/4885

“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.