SCHEMBL31215

SCHEMBL31215

CC(C)(c1ccc(OCCCO)cc1)c1ccc(OCC2CO2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.78
MEN1 O00255 6/20 0.78
KMT2A Q03164 6/20 0.78
TP53 P04637 3/20 0.78
TSHR P16473 3/20 0.78
MAPT P10636 2/20 0.78
HPGD P15428 2/20 0.78
HIF1A Q16665 2/20 0.78
CYP1A2 P05177 1/20 0.78
PPARG P37231 1/20 0.78
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 3/20 0.46
PKM P14618 2/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 7/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
CYP3A4 P08684 2/20 0.43
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43

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
SCHEMBL16693565 0.96 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL17176161 0.96 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL14218628 0.92 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL15032803 0.91 ALDH1A1 (0.88) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL15159444 0.90 ALDH1A1 (0.85) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL20390747 0.90 ALDH1A1 (0.90) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL11995406 0.89 ALDH1A1 (0.82) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL14397616 0.88 TDP1 (0.59) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL17925477 0.88 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL22121 0.88 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ATP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3988541-A1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE British Columbia Cancer Agency Branch (CA) 2022-04-27 EP disclosed
EP-3858885-A1 COMPOSITION FOR FORMING HEAT CONDUCTIVE MATERIALS, HEAT CONDUCTIVE MATERIAL, HEAT CONDUCTIVE SHEET, DEVICE WITH HEAT CONDUCTIVE LAYER, AND FILM FUJIFILM Corporation (JP) 2021-08-04 EP disclosed
US-20170349835-A1 Triazine-Intercalated Metal Phosphates, Compositions, and Methods HUBER CORP J M (US) 2017-12-07 US disclosed
EP-3252032-A1 DIGLYCIDIC ETHER DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE British Columbia Cancer Agency Branch (CA) 2017-12-06 EP disclosed
US-9764293-B2 Gas separation composite membrane, method of producing the same, gas separating module using the same, and gas separation apparatus and gas separation method FUJIFILM CORPORATION (JP) 2017-09-19 US disclosed
US-9732182-B2 Epoxy compound having alkoxysilyl group, method of preparing the same, composition and cured product comprising the same, and use thereof KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2017-08-15 US disclosed
US-9725590-B2 Epoxy compound having alkoxysilyl group, method for preparing the same, composition including the same, cured product made from the composition, and use of the composition KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2017-08-08 US disclosed
US-9708538-B2 Flame protection agent compositions containing triazine intercalated metal phosphates J.M. HUBER CORPORATION (US) 2017-07-18 US disclosed
US-9701792-B2 Composite compositions and methods of preparing and using same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-07-11 US disclosed
US-20170174822-A1 RAPID CURING THIOL EPOXY RESIN WITH IMPROVED COMPRESSION STRENGTH PERFORMANCE THE BOEING COMPANY 2017-06-22 US disclosed
EP-2743299-A1 Synergistic compound and its use as flame retardant Zylum Beteiligungsgesellschaft mbH & Co. Patente II KG (DE) 2014-06-18 EP disclosed
WO-2014060003-A1 AZINE METAL PHOSPHATES AS FLAME-RETARDANT MATERIALS WEHNER WOLFGANG (DE) 2014-04-24 WO disclosed
US-20140044804-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY REMOVING POTASSIUM ION FROM THE GASTROINTESTINAL TRACT OF A MAMMAL RELYPSA, INC. (US) 2014-02-13 US disclosed
US-8349224-B2 Melamine phenylphosphonate flame retardant compositions BASF SE Ludwigshafen (DE) 2013-01-08 US disclosed
WO-2012025362-A1 FLAME PROTECTION AGENT COMPOSITIONS CONTAINING TRIAZINE INTERCALATED METAL PHOSPHATES CATENA ADDITIVES GMBH & CO. KG (DE) 2012-03-01 WO disclosed
US-8101678-B2 DOPO flame retardant compositions BASF SE (DE) 2012-01-24 US disclosed
US-20110288206-A1 MELAMINE PHENYLPHOSPHINATE FLAME RETARDANT COMPOSITIONS BASF SE (DE) 2011-11-24 US disclosed
US-20110060119-A1 CURING METHOD FOR POLYETHER QINETIQ LIMITED (GB) 2011-03-10 US disclosed
US-20100234495-A1 DOPO FLAME RETARDANT COMPOSITIONS CIBA CORPORATION (US) 2010-09-16 US disclosed
US-20070152311-A1 Chip-packaging compositions including bis-maleimides, packages made therewith, and methods of assembling same INTEL CORPORATION 2007-07-05 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-20110288206-A1 MELAMINE PHENYLPHOSPHINATE FLAME RETARDANT COMPOSITIONS PHOSPHO1, FLAD1, PFAS ALDH1A1 1460/4885MEN1 922/4885KMT2A 197/4885
US-20140044804-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY REMOVING POTASSIUM ION FROM THE GASTROINTESTINAL TRACT OF A MAMMAL KCNN3, KCNH3, KCNH2 ALDH1A1 4369/4885MEN1 360/4885KMT2A 1769/4885
US-20170349835-A1 Triazine-Intercalated Metal Phosphates, Compositions, and Methods AP3M1, IPO4, HAX1 ALDH1A1 3954/4885MEN1 1532/4885KMT2A 1659/4885

“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.