SCHEMBL6235887

SCHEMBL6235887

Cc1cccc(C(C)C)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
NOTUM Q6P988 1/20 0.47
CYP3A4 P08684 2/20 0.45
LMNA P02545 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
FAAH O00519 1/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
GABRB1 P18505 1/20 0.45

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
SCHEMBL6637397 0.87 FABP3 (0.59) HPGDFABP3FABP4NOTUMCYP3A4
SCHEMBL13105885 0.86 GABRA1 (0.46) TDP1L3MBTL1HPGDCYP3A4LMNA
SCHEMBL1356418 0.84 FABP3 (0.47) TDP1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL343203 0.82 FABP3 (0.46) TDP1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL6235772 0.82 GABRA1 (0.43) L3MBTL1HPGDALDH1A1CYP3A4LMNA
SCHEMBL2851225 0.82 GABRA1 (0.43) HPGDALDH1A1CYP3A4LMNAGABRA1
Isopropyl Alcohol SCHEMBL8992570 0.81 FABP3 (0.44) TDP1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL355272 0.80 TDP1 (0.61) TDP1L3MBTL1HPGDKDM4EALDH1A1
SCHEMBL4961934 0.80 CA1 (0.61) HPGDFABP3FABP4CYP3A4LMNA
SCHEMBL15614370 0.79 CA1 (0.50) HPGDKDM4ECYP3A4LMNAGABRA1

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 23 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-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 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-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 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
US-20100240630-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Myriad Pharmaceuticals, Inc.. (US) 2010-09-23 US disclosed
US-6916933-B2 4-pyridinyl-n-acyl-l-phenylalanines HOFFMAN-LA ROCHE INC. (US) 2005-07-12 US disclosed
EP-1244625-B1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
EP-1403247-A1 N-Alkanoylphenylalanine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2004-03-31 EP disclosed
US-6592876-B1 Genes of Streptococcus pneumoniae encoding pneumococcal surface protein A UAB RESEARCH FOUNDATION 2003-07-15 US disclosed
US-6500613-B1 ISOLATED PNEUMOCOCCAL SURFACE PROTEIN C, PSPC, OF STREPTO-COCCUS PNEUMONIAE HAVING ALPHA-HELICAL, PROLINE RICH AND REPEAT REGIONS UNIVERSITY OF ALABAMA AT BIRMINGHAM 2002-12-31 US disclosed
EP-1244625-A1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-10-02 EP disclosed
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines KAPLAN GERALD LEWIS (US) 2002-09-19 US disclosed
US-6388084-B1 4-pyridinyl-n-acyl-l-phenylalanines HOFFMANN-LA ROCHE INC. 2002-05-14 US disclosed
WO-2001042215-A1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 WO disclosed
US-6229011-B1 BINDING INHIBITORS BETWEEN VASCULAR ADHESION MOLECULE-1 AND ALPHA. BETA.INTEGRIN; USEFUL FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES SUCH AS MULTIPLE SCLEROSIS, ASTHMA, AND INFLAMMATORY BOWEL DISEASE HOFFMAN-LA ROCHE INC. 2001-05-08 US disclosed
EP-1005445-A1 N-ALKANOYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-07 EP disclosed
WO-1999010312-A1 N-ALKANOYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-04 WO 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-20100240630-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF HAVCR2, FURIN, SARS1 TDP1 2813/4885L3MBTL1 2822/4885HPGD 1197/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 TDP1 103/4885L3MBTL1 3224/4885HPGD 223/4885
US-12030862-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, PIK3R4, PIK3R5 TDP1 1193/4885L3MBTL1 3117/4885HPGD 2904/4885
US-20230147285-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 TDP1 1193/4885L3MBTL1 3117/4885HPGD 2904/4885
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS CBR3, CYP4X1, CBR1 TDP1 3343/4885L3MBTL1 2316/4885HPGD 454/4885
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS CBR1, CBR3, VRK1 TDP1 3909/4885L3MBTL1 661/4885HPGD 1921/4885
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines VCAM1, ICAM1, SELPLG TDP1 1539/4885L3MBTL1 536/4885HPGD 1732/4885

“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.