SCHEMBL10175240

SCHEMBL10175240

CCc1cc(C)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.45
PTGS2 P35354 2/20 0.45
ALDH1A1 P00352 1/20 0.43
ACHE P22303 2/20 0.41
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP19A1 P11511 1/20 0.38
CYP3A4 P08684 2/20 0.38
MAOB P27338 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
PTPN1 P18031 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL88823 0.85 ALDH1A1 (0.61) PTGS2ALDH1A1CYP1A1CYP1B1CYP19A1
SCHEMBL11258820 0.85 ALDH1A1 (0.53) PTGS2ALDH1A1CYP1A1CYP1B1CYP19A1
SCHEMBL13369436 0.83 PTGS2 (0.49) TACR1PTGS2ALDH1A1ACHECYP1A1
SCHEMBL418489 0.80 TACR1 (0.47) TACR1ALDH1A1ACHECYP1A1CYP1B1
SCHEMBL7621664 0.80 TACR1 (0.44) TACR1ALDH1A1ACHECYP1A1CYP1B1
SCHEMBL1936578 0.80 TACR1 (0.44) TACR1ALDH1A1ACHECYP1A1CYP1B1
SCHEMBL10204849 0.80 TACR1 (0.51) TACR1PTGS2ALDH1A1ACHECYP1A1
SCHEMBL3933079 0.80 TACR1 (0.44) TACR1ALDH1A1ACHECYP1A1CYP1B1
SCHEMBL12338023 0.80 TACR1 (0.44) TACR1PTGS2ALDH1A1ACHECYP1A1
SCHEMBL2618040 0.80 DAO (0.44) TACR1PTGS2ALDH1A1ACHECYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381112-A1 Compositions and Methods of Manufacturing Amphiphilic Block Copolymers that Form Nanoparticles in Situ VACCITECH NORTH AMERICA, INC. (US) 2023-11-30 US disclosed
EP-4116302-A1 COMPOUND AND PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN PREPARATION OF THERAPEUTIC ANTI-CANCER DRUG Tianjin Jikun Medical Technology Co., Ltd. (CN) 2023-01-11 EP disclosed
US-10807945-B2 1,4-disubstituted imidazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-10-20 US disclosed
US-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2018-02-22 US disclosed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US disclosed
EP-2933257-B1 EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, METHOD FOR PREPARING SAME, COMPOSITION COMPRISING SAME, CURED PRODUCT MADE THEREFROM, AND USE THEREOF KOREA IND TECH INST (KR) 2017-07-26 EP disclosed
US-20170166552-A1 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2017-06-15 US disclosed
US-9676721-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2017-06-13 US disclosed
US-20170137441-A1 Piperidine Derivatives And Compositions For the Inhibition Of Nicotinamide Phosphoribosyltransferase (NAMPT) VALO EARLY DISCOVERY, INC. 2017-05-18 US disclosed
US-9580409-B2 Modulators of opioid receptors and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
EP-1494671-B1 1-(4-PIPERIDINYL)BENZIMIDAZOLONES AS HISTAMINE H3 ANTAGONISTS SCHERING CORP (US) 2011-10-19 EP disclosed
EP-2125748-B1 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2011-05-25 EP disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-4837301-A FROM ALKALI MTEAL SULFIDES AND AROMATIC DIHALOGEN COMPOUNDS; IMPROVED CORROSION RESISTANCE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-06 US disclosed
EP-0275007-A2 Process for the preparation of highly molecular, optionally branched polyarylene sulfides BAYER AG (DE) 1988-07-20 EP 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 (7 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-20170166552-A1 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE NR4A3, NR0B1, NR2C2 TACR1 2108/4885PTGS2 1790/4885ALDH1A1 278/4885
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 TACR1 477/4885PTGS2 1603/4885ALDH1A1 867/4885
US-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD TACR1 2921/4885PTGS2 1251/4885ALDH1A1 1643/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 TACR1 1503/4885PTGS2 2255/4885ALDH1A1 1273/4885
US-10807945-B2 1,4-disubstituted imidazole derivative NR0B1, NR4A3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TACR1 2250/4885PTGS2 2234/4885ALDH1A1 258/4885
US-20230381112-A1 Compositions and Methods of Manufacturing Amphiphilic Block Copolymers that Form Nanoparticles in Situ SBDS, MTDH, DLST TACR1 1787/4885PTGS2 2739/4885ALDH1A1 2783/4885
US-20170137441-A1 Piperidine Derivatives And Compositions For the Inhibition Of Nicotinamide Phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT TACR1 2544/4885PTGS2 1864/4885ALDH1A1 385/4885

“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.