SCHEMBL607183

SCHEMBL607183

COc1ccc(CNC(C)c2ccccc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.62
LMNA P02545 3/20 0.60
KMT2A Q03164 8/20 0.59
MEN1 O00255 5/20 0.57
TDP1 Q9NUW8 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ADRB2 P07550 1/20 0.51

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
SCHEMBL29551865 1.00 CASR (0.62) CASRLMNAKMT2AMEN1TDP1
SCHEMBL4073722 1.00 CASR (0.62) CASRLMNAKMT2AMEN1TDP1
SCHEMBL14469768 0.92 CASR (0.58) CASRLMNAKMT2AMEN1TDP1
Cadaverine Tartrate SCHEMBL5825857 0.90 KMT2A (0.59) CASRLMNAKMT2AMEN1TDP1
Cadaverine Tartrate SCHEMBL5825862 0.90 KMT2A (0.59) CASRLMNAKMT2AMEN1TDP1
Trifluoroacetic Acid SCHEMBL28937395 0.89 CASR (0.61) CASRLMNAKMT2AMEN1TDP1
Trifluoroacetic Acid SCHEMBL29551765 0.89 CASR (0.61) CASRLMNAKMT2AMEN1TDP1
SCHEMBL13868189 0.88 CASR (0.73) CASRLMNAKMT2AMEN1TDP1
SCHEMBL3921801 0.86 CASR (0.67) CASRLMNAKMT2AMEN1TDP1
SCHEMBL13868174 0.86 CASR (0.78) CASRLMNAKMT2AMEN1TDP1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107759466-B Splitting method of (+/-) -2- (3-benzoyl) -phenylpropionic acid 浙江瑞博制药有限公司 2022-04-08 CN claimed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
CN-116730993-A Teranavir intermediate and preparation method of Teranavir 浙江科技学院 2023-09-12 CN disclosed
CN-107759466-B Splitting method of (+/-) -2- (3-benzoyl) -phenylpropionic acid 浙江瑞博制药有限公司 2022-04-08 CN disclosed
EP-2802554-B1 PREPARATION OF OPTICALLY PURE ß-AMINO ACID TYPE ACTIVE PHARMACEUTICAL INGREDIENTS AND INTERMEDIATES THEREOF LEK PHARMACEUTICALS (SI) 2018-04-25 EP disclosed
CN-104159886-B Preparation of optically pure beta-amino acid active pharmaceutical ingredients and intermediates thereof 力奇制药公司 2017-05-24 CN disclosed
CN-104159886-A Preparation of optically pure beta-amino acid active pharmaceutical ingredients and intermediates thereof LEK PHARMACEUTICALS 2014-11-19 CN disclosed
EP-2615080-A1 Preparation of Optically Pure ß-Amino Acid Type Active Pharmaceutical Ingredients and Intermediates thereof LEK Pharmaceuticals d.d. (SI) 2013-07-17 EP disclosed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP disclosed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO disclosed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US disclosed
EP-1778662-A1 PHOTORACEMIZATION OF 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES Warner-Lambert Company LLC (US) 2007-05-02 EP disclosed
WO-2006011045-A1 PHOTORACEMIZATION OF 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2006-02-02 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 (1 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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 CASR 2647/4885LMNA 981/4885KMT2A 2853/4885

“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.