SCHEMBL641868

SCHEMBL641868

CCOc1ccc(C(C)=O)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 8/20 0.64
LMNA P02545 1/20 0.56
TSHR P16473 3/20 0.55
HSD17B10 Q99714 1/20 0.54
AKR1C3 P42330 3/20 0.52
AKR1C2 P52895 3/20 0.52
HDAC8 Q9BY41 2/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTT P42858 1/20 0.50
BRD4 O60885 1/20 0.49

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
SCHEMBL5340855 0.90 TSHR (0.68) CREBBPLMNATSHRHSD17B10
SCHEMBL6196393 0.87 PTPN11 (0.57) CREBBPAKR1C3AKR1C2HDAC8HDAC1
SCHEMBL5874111 0.87 CREBBP (0.67) CREBBPLMNATSHRHSD17B10CYP3A4
SCHEMBL17395803 0.87 CREBBP (0.76) CREBBPHDAC8HDAC1HDAC6BRD4
SCHEMBL6200527 0.86 PTPN11 (0.63) CREBBPTSHRAKR1C3AKR1C2HDAC8
SCHEMBL13528549 0.85 AKR1C3 (0.51) CREBBPAKR1C3AKR1C2
SCHEMBL7962680 0.85 CREBBP (0.62) CREBBPTSHRHSD17B10HDAC8HDAC1
SCHEMBL7566116 0.85 PTGDR2 (0.63) CREBBPAKR1C3AKR1C2
SCHEMBL5151569 0.84 PTPN11 (0.65) CREBBPLMNAHDAC8HDAC1HDAC6
SCHEMBL5334076 0.84 LMNA (0.54) CREBBPLMNATSHRHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379491-B1 Process for synthesis of amino-methyl tetraline derivatives HOFFMANN LA ROCHE (CH) 2013-03-20 EP claimed
US-20120323040-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES DURKIN KIERAN (US) 2012-12-20 US claimed
US-8119842-B2 Process for synthesis of amino-methyl tetralin derivatives Roche Palo Alto LLP (US) 2012-02-21 US claimed
EP-2379491-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP claimed
WO-2010069778-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO claimed
US-20100160682-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES ROCHE PALO ALTO LLC 2010-06-24 US claimed
CN-116135892-A Method for preparing bimodal polyethylene resin for pipe material and bimodal polyethylene resin thereof 中国石油化工股份有限公司 2023-05-19 CN disclosed
WO-2016001452-A1 COMPOUNDS, IN PARTICULAR FOR USE IN THE TREATMENT OF A DISEASE OR CONDITION FOR WHICH A BROMODOMAIN INHIBITOR IS INDICATED Universität Zürich (CH) 2016-01-07 WO disclosed
US-9108915-B2 Method for producing 3,4-disubstituted pyrrolidine derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-08-18 US disclosed
EP-2634172-A1 METHOD FOR PRODUCING 3,4-DISUBSTITUTED PYRROLIDINE DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2013-09-04 EP disclosed
US-20130217893-A1 METHOD FOR PRODUCING 3,4-DISUBSTITUTED PYRROLIDINE DERIVATIVE KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-8119630-B2 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2012-02-21 US disclosed
US-20100015717-A1 Mass Tags for Quantitive Analysis PPD BIOMARKER DISCOVERY SCIENCES LLC (US) 2010-01-21 US disclosed
US-5482941-A Quinazolinone antianginal agents PFIZER INC. (US) 1996-01-09 US disclosed
US-5426107-A Treatment of cardiovascular disorders, asthma, allergies PFIZER INC. (US) 1995-06-20 US disclosed
EP-0628032-A1 QUINAZOLINONE ANTIANGINAL AGENTS Pfizer Limited (GB) 1994-12-14 EP disclosed
US-5272147-A Pyrazolopyrimidinone antianginal agents PFIZER INC. (US) 1993-12-21 US disclosed
WO-1993012095-A1 QUINAZOLINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1993-06-24 WO disclosed
EP-0526004-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1993-02-03 EP disclosed
CN-1068329-A Pyrazolopyrimidinoneantianginal antianginal agents PFIZER (US) 1993-01-27 CN 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 (4 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-20100160682-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES PKN2, CCND2, PRMT1 CREBBP 4557/4885LMNA 2118/4885TSHR 1800/4885
US-20120323040-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES PKN2, CCND2, PRMT1 CREBBP 4566/4885LMNA 2171/4885TSHR 1861/4885
US-20130217893-A1 METHOD FOR PRODUCING 3,4-DISUBSTITUTED PYRROLIDINE DERIVATIVE PTGS1, PTGER1, HPD CREBBP 4118/4885LMNA 3437/4885TSHR 2774/4885
US-20100015717-A1 Mass Tags for Quantitive Analysis PTMS, CHAMP1, TMT1A CREBBP 1395/4885LMNA 3920/4885TSHR 2976/4885

“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.