SCHEMBL799856

SCHEMBL799856

Cc1ccc(C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE2A O00408 1/20 0.40
CES2 O00748 2/20 0.38
NOTUM Q6P988 1/20 0.38
S1PR1 P21453 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL22900080 0.87 TSHR (0.41) KIF11TSHRALDH1A1HPGDALOX15
SCHEMBL26523765 0.87 TSHR (0.41) KIF11TSHRALDH1A1HPGDALOX15
SCHEMBL1538689 0.86 CES2 (0.50) KIF11PDE2ACES2NOTUMS1PR1
SCHEMBL12773796 0.84 PDE2A (0.49) KIF11TSHRALDH1A1HPGDALOX15
SCHEMBL23483450 0.84 KIF11 (0.43) KIF11TSHRALDH1A1HPGDALOX15
SCHEMBL1927914 0.84 TSHR (0.46) KIF11TSHRALDH1A1HPGDALOX15
SCHEMBL30786333 0.84 TSHR (0.46) KIF11TSHRALDH1A1HPGDALOX15
SCHEMBL23759275 0.83 TSHR (0.38) KIF11TSHRALDH1A1HPGDALOX15
SCHEMBL23759247 0.83 POLB (0.39) KIF11TSHRALDH1A1HPGDALOX15
SCHEMBL1995277 0.83 CES2 (0.40) TSHRALOX15HSD17B10PDE2ACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382902-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-11-30 US disclosed
US-20230382902-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-11-30 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230330061-A1 ANTIMICROBIAL COMPOSITIONS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF NATIONAL TAIWAN UNIVERSITY (TW) 2023-10-19 US disclosed
US-11786528-B2 Pyrazolopyrimidine compounds as adenosine receptor antagonists EXSCIENTIA LTD. (GB) 2023-10-17 US disclosed
US-11786528-B2 Pyrazolopyrimidine compounds as adenosine receptor antagonists EXSCIENTIA LTD. (GB) 2023-10-17 US disclosed
US-11771680-B2 Pyrrole compounds ALIGOS THERAPEUTICS, INC. (US) 2023-10-03 US disclosed
US-11708359-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-07-25 US disclosed
US-11708359-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-07-25 US disclosed
US-20230212207-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-07-06 US disclosed
US-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-09-10 US disclosed
US-20080108630-A1 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX INC. (US) 2008-05-08 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-7323480-B2 Substituted triazoles as modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2008-01-29 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 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 (13 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-11786528-B2 Pyrazolopyrimidine compounds as adenosine receptor antagonists ADORA1, ADORA3, ADORA2A KIF11 3584/4885TSHR 258/4885ALDH1A1 849/4885
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 KIF11 3875/4885TSHR 898/4885ALDH1A1 2696/4885
US-11708359-B2 Monoacylglycerol lipase modulators MGLL, LPL, LIPC KIF11 3440/4885TSHR 1621/4885ALDH1A1 292/4885
US-20230212207-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OTC, OCIAD1 KIF11 2296/4885TSHR 4384/4885ALDH1A1 423/4885
US-20230330061-A1 ANTIMICROBIAL COMPOSITIONS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FASN, NAAA, FPR3 KIF11 4842/4885TSHR 2742/4885ALDH1A1 1883/4885
US-20230382902-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LIPC KIF11 3440/4885TSHR 1621/4885ALDH1A1 292/4885
US-11771680-B2 Pyrrole compounds PKD1, ADCYAP1R1, PYCR1 KIF11 1344/4885TSHR 2872/4885ALDH1A1 538/4885
US-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD KIF11 4416/4885TSHR 262/4885ALDH1A1 1551/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 KIF11 1798/4885TSHR 866/4885ALDH1A1 804/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 KIF11 1361/4885TSHR 3288/4885ALDH1A1 543/4885
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 KIF11 3970/4885TSHR 1047/4885ALDH1A1 2935/4885
US-20080108630-A1 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION PPARG, PPARD, GPR119 KIF11 4020/4885TSHR 376/4885ALDH1A1 2436/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 KIF11 2780/4885TSHR 1620/4885ALDH1A1 1032/4885

“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.