SCHEMBL10172892

SCHEMBL10172892

Cc1ccc(C(C)C)c(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.59
LMNA P02545 2/20 0.55
TRPA1 O75762 1/20 0.55
CHRM1 P11229 1/20 0.55
SLC6A2 P23975 1/20 0.55
ADRA1A P35348 1/20 0.55
HTR2B P41595 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
ACE2 Q9BYF1 1/20 0.50

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
SCHEMBL6644184 0.86 CSNK2A1 (0.52) CSNK2A1LMNATRPA1CHRM1SLC6A2
SCHEMBL10339001 0.86 LMNA (0.53) LMNATRPA1CHRM1SLC6A2ADRA1A
Phthalic Acid SCHEMBL29894478 0.84 TRPA1 (0.68) CSNK2A1LMNATRPA1CHRM1SLC6A2
Phthalic Acid SCHEMBL28968625 0.84 TRPA1 (0.68) CSNK2A1LMNATRPA1CHRM1SLC6A2
SCHEMBL24808783 0.84 LMNA (0.52) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL28154922 0.84 LMNA (0.52) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL21084977 0.84 CSNK2A1 (0.55) CSNK2A1LMNATRPA1CHRM1SLC6A2
SCHEMBL28007358 0.84 CSNK2A1 (0.55) CSNK2A1LMNATRPA1CHRM1SLC6A2
SCHEMBL11805203 0.82 CA12 (0.55) CSNK2A1LMNATRPA1CHRM1SLC6A2
SCHEMBL17707907 0.82 FABP3 (0.52) LMNASLC6A2L3MBTL1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030862-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2024-07-09 US disclosed
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2024-01-16 US disclosed
US-11785944-B2 Phenolic aerosol sprays comprising thymol INNOTECT (US) 2023-10-17 US disclosed
US-20230147285-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2023-05-11 US disclosed
US-20220061320-A1 Phenolic aerosol sprays comprising thymol DUGGAL VIJAY (US) 2022-03-03 US disclosed
US-20190330141-A1 Compositions With A Cooling Effect THE PROCTER & GAMBLE COMPANY 2019-10-31 US disclosed
US-20190330141-A1 Compositions With A Cooling Effect THE PROCTER & GAMBLE COMPANY 2019-10-31 US disclosed
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-08-09 US disclosed
US-9944644-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-17 US disclosed
US-9938291-B2 N-alkyl-2-phenoxyethanamines, their preparation and use THE TRUSTESS OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-10 US disclosed
WO-2016100123-A1 IONIC LIQUID SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2016-06-23 WO disclosed
US-20160137595-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-19 US disclosed
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 US disclosed
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 US disclosed
WO-2016018875-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-02-04 WO disclosed
US-20160024027-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 US disclosed
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-01-28 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
EP-2418033-A1 METAL COMPLEX AND COMPOSITION CONTAINING SAME Sumitomo Chemical Company, Limited (JP) 2012-02-15 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 (11 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-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS CSNK2A1 3794/4885LMNA 3858/4885TRPA1 643/4885
US-20190330141-A1 Compositions With A Cooling Effect CUTA, FABP4, EBP CSNK2A1 4579/4885LMNA 1778/4885TRPA1 5/4885
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, PIK3R4, PIK3R5 CSNK2A1 188/4885LMNA 3204/4885TRPA1 2585/4885
US-12030862-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, PIK3R4, PIK3R5 CSNK2A1 188/4885LMNA 3204/4885TRPA1 2585/4885
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 CSNK2A1 1448/4885LMNA 1859/4885TRPA1 1754/4885
US-20160137595-A1 IDO INHIBITORS IDO1, IDO2, TDO2 CSNK2A1 2448/4885LMNA 4535/4885TRPA1 1973/4885
US-20230147285-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 CSNK2A1 188/4885LMNA 3204/4885TRPA1 2585/4885
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS CBR3, CYP4X1, CBR1 CSNK2A1 2125/4885LMNA 2108/4885TRPA1 1455/4885
US-20180222919-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 CSNK2A1 1448/4885LMNA 1859/4885TRPA1 1754/4885
US-20160024027-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CSNK2A1 4719/4885LMNA 3816/4885TRPA1 14/4885
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S CSNK2A1 1027/4885LMNA 57/4885TRPA1 504/4885

“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.