SCHEMBL607502

SCHEMBL607502

CC(O)C(C(=O)O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
SLC7A5 Q01650 1/20 0.38
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
TRPA1 O75762 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL607505 1.00 TP53 (0.45) TP53SLC7A5ALDH1A1TSHRMAPT
SCHEMBL13542998 0.82 TP53 (0.42) TP53SLC7A5ALDH1A1TSHRMAPT
SCHEMBL5514917 0.82 TP53 (0.42) TP53SLC7A5ALDH1A1TSHRMAPT
SCHEMBL1604917 0.82 ALDH1A1 (0.39) TP53SLC7A5ALDH1A1TSHRMAPT
SCHEMBL10486549 0.81 TP53 (0.43) TP53SLC7A5ALDH1A1TSHRMAPT
SCHEMBL25004681 0.78 TSHR (0.47) TP53SLC7A5ALDH1A1TSHRMAPT
SCHEMBL17777229 0.78 TP53 (0.38) TP53SLC7A5ALDH1A1TSHRMAPT
Cadaverine Tartrate SCHEMBL30041704 0.78 TSHR (0.56) TP53SLC7A5ALDH1A1TSHRMAPT
SCHEMBL22355731 0.78 TP53 (0.38) TP53SLC7A5ALDH1A1TSHRMAPT
SCHEMBL17915472 0.78 TP53 (0.32) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20170119641-A1 TOPICAL FORMULATIONS FOR UV PROTECTION TopGeniX, Inc. 2017-05-04 US disclosed
CN-102199633-B Method for preparing (S)-(+)-3-hydroxyl tert-butyl butyrate by biotransformation UNIV ZHEJIANG TECHNOLOGY 2013-04-17 CN disclosed
EP-1876247-B1 Metal compound removal BASF CORP (US) 2013-03-27 EP disclosed
EP-2264197-B1 Metal compound removal BASF CORP (US) 2013-01-16 EP disclosed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
CN-102199633-A Method for preparing (S)-(+)-3-hydroxyl tert-butyl butyrate by biotransformation UNIV ZHEJIANG TECHNOLOGY 2011-09-28 CN disclosed
US-7678279-B2 Metal compound removal BASF CATALYSTS LLC (US) 2010-03-16 US disclosed
US-20090114600-A1 METAL COMPOUND REMOVAL BASF CATALYSTS LLC (NJ) 2009-05-07 US 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
US-20060151399-A1 Metal compound removal BASF CATALYST LLC 2006-07-13 US disclosed
EP-1537247-A1 METAL COMPOUND REMOVAL Engelhard Corporation (US) 2005-06-08 EP disclosed
WO-2004005557-A1 METAL COMPOUND REMOVAL ENGELHARD CORPORATION (US) 2004-01-15 WO disclosed
US-6384228-B2 EPIBATIDINE; ANALGESICS; ANIMAL EXTRACTS NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-05-07 US disclosed
US-20020010339-A1 METHOD FOR SYNTHESIS OF HALOPYRIDYL-ACYCLOPENTANE DERIVATIVE AND INTERMEDIATE THEREOF NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-01-24 US disclosed
US-5830936-A THERMAL STABILIZERS FOR POLYOLEFINS AND ENGINEERING PLASTICS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-11-03 US 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-20020010339-A1 METHOD FOR SYNTHESIS OF HALOPYRIDYL-ACYCLOPENTANE DERIVATIVE AND INTERMEDIATE THEREOF DHPS, ALAD, HAAO TP53 4588/4885SLC7A5 4190/4885ALDH1A1 242/4885
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 TP53 4311/4885SLC7A5 4466/4885ALDH1A1 1235/4885
US-20170119641-A1 TOPICAL FORMULATIONS FOR UV PROTECTION ERCC4, ERCC1, UNG TP53 612/4885SLC7A5 1374/4885ALDH1A1 417/4885

“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.