SCHEMBL6399236

SCHEMBL6399236

Cc1cc(C)c(C(C)C(=O)O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.41
KDM4E B2RXH2 2/20 0.41
TPMT P51580 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 2/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
ALDH1A1 P00352 2/20 0.36
IGFBP3 P17936 1/20 0.36
MAPT P10636 2/20 0.35
PTGS1 P23219 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7152622 1.00 PTGS2 (0.41) PTGS2KDM4ETPMTTDP1NPSR1
SCHEMBL7146446 1.00 PTGS2 (0.41) PTGS2KDM4ETPMTTDP1NPSR1
SCHEMBL27635075 0.84 CYP3A4 (0.45) PTGS2TDP1HPGDAKR1C3AKR1C2
SCHEMBL28809532 0.80 KDM4E (0.39) KDM4ETPMTNPSR1HPGDMCOLN3
SCHEMBL6806673 0.79 KDM4E (0.42) KDM4ETPMTTDP1NPSR1HPGD
SCHEMBL21269629 0.77 KDM4E (0.41) PTGS2KDM4ETPMTTDP1NPSR1
SCHEMBL21269842 0.77 KDM4E (0.41) KDM4ETPMTTDP1NPSR1HPGD
SCHEMBL21268965 0.77 KDM4E (0.41) KDM4ETPMTTDP1NPSR1HPGD
SCHEMBL29030339 0.77 KDM4E (0.41) KDM4ETPMTTDP1NPSR1HPGD
SCHEMBL28799205 0.77 KDM4E (0.41) KDM4ETPMTTDP1NPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114106057-B Synthesis and characterization of Ru alkylene complexes 优美科股份公司及两合公司 2023-06-23 CN disclosed
EP-3508489-B1 A PROCESS FOR THE PREPARATION OF ACYLPHOSPHANES ETH ZUERICH (CH) 2021-04-14 EP disclosed
EP-3508489-A1 A PROCESS FOR THE PREPARATION OF ACYLPHOSPHANES ETH Zürich (CH) 2019-07-10 EP disclosed
US-10273258-B2 Process for the preparation of acylphosphanes ETH ZUERICH (CH) 2019-04-30 US disclosed
EP-2903995-B1 A PROCESS FOR THE PREPARATION OF ACYLPHOSPHANES ETH ZUERICH (CH) 2019-01-16 EP disclosed
US-20180002357-A1 PROCESS FOR THE PREPARATION OF ACYLPHOSPHANES ETH ZUERICH (CH) 2018-01-04 US disclosed
US-9701700-B2 Process for the preparation of acylphosphanes ETH ZUERICH (CH) 2017-07-11 US disclosed
US-20150299231-A1 A PROCESS FOR THE PREPARATION OF ACYLPHOSPHANES ETH ZUERICH (CH) 2015-10-22 US disclosed
EP-2903995-A1 A PROCESS FOR THE PREPARATION OF ACYLPHOSPHANES ETH Zürich (CH) 2015-08-12 EP disclosed
WO-2014053455-A1 A PROCESS FOR THE PREPARATION OF ACYLPHOSPHANES ETH Zürich (CH) 2014-04-10 WO disclosed
US-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed
EP-0654534-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2000-03-01 EP disclosed
EP-0939134-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-01 EP disclosed
EP-0924193-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
EP-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed
EP-0441979-B1 OPTICALLY ACTIVE 2-(ALKYL-SUBSTITUTED PHENYL)-PROPIONIC ACID DERIVATIVE AND OPTICAL RESOLUTION OF ( )-1-METHYL-3-PHENYLPROPYLAMINE DAICEL CHEM (JP) 1996-01-31 EP disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 EP disclosed
EP-0441979-A1 OPTICALLY ACTIVE 2-(ALKYL-SUBSTITUTED PHENYL)-PROPIONIC ACID DERIVATIVE AND OPTICAL RESOLUTION OF ( )-1-METHYL-3-PHENYLPROPYLAMINE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-21 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 (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-10273258-B2 Process for the preparation of acylphosphanes AGPAT5, AGPAT2, PHOSPHO1 PTGS2 1292/4885KDM4E 2609/4885TPMT 786/4885
US-20180002357-A1 PROCESS FOR THE PREPARATION OF ACYLPHOSPHANES AGPAT5, AGPAT2, PHOSPHO1 PTGS2 1292/4885KDM4E 2609/4885TPMT 786/4885
US-20150299231-A1 A PROCESS FOR THE PREPARATION OF ACYLPHOSPHANES AGPAT5, PHOSPHO1, AGPAT2 PTGS2 1480/4885KDM4E 2878/4885TPMT 804/4885

“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.