SCHEMBL5961926

SCHEMBL5961926

COC(=O)C1(C(=O)OC)CC1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
POLB P06746 2/20 0.45
KDM1A O60341 7/20 0.44
MAOA P21397 6/20 0.44
MAOB P27338 6/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9989762 1.00 MAPT (0.55) MAPTPOLBKDM1AMAOAMAOB
SCHEMBL2528047 0.93 MAPT (0.52) MAPTPOLBKDM1AMAOAMAOB
SCHEMBL12035589 0.93 MAPT (0.52) MAPTPOLBKDM1AMAOAMAOB
SCHEMBL28885404 0.84 TUBB4A (0.44) MAPTCYP2C19MEN1KMT2A
SCHEMBL19612364 0.83 MAPT (0.49) MAPTPOLBMAPK1CYP2C19MEN1
SCHEMBL28885344 0.83 KDM4E (0.42) MAPTPOLBKDM1AMAPK1MEN1
SCHEMBL28279217 0.83 OPRK1 (0.47) MAPTKDM1A
SCHEMBL28885346 0.83 KDM1A (0.41) MAPTKDM1ASMN1; SMN2
SCHEMBL28885394 0.82 OPRK1 (0.50) MAPTCYP2C19MEN1KMT2AGAA
SCHEMBL28558069 0.81 SMN1; SMN2 (0.56) KDM1AMAOAMAOBHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9024093-B2 Fluorination of organic compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-05-05 US disclosed
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-12-22 US disclosed
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-13 US disclosed
US-7109343-B2 Metal catalysts and methods for making and using same THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-09-19 US disclosed
US-20050010049-A1 Metal catalysts and methods for making and using same DAVIES HUW M L (US) 2005-01-13 US disclosed
US-6762304-B2 BIS-TRANSITION METAL CATALYSTS HAVING D2 SYMMETRY RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2004-07-13 US disclosed
EP-1173278-B1 METAL CATALYSTS AND METHODS FOR MAKING AND USING SAME RES FOUNDATION OFSTATE UNIVERS (US) 2004-06-30 EP disclosed
US-20020183535-A1 Metal catalysts and methods for making and using same DAVIES HUW M L (US) 2002-12-05 US disclosed
US-6410746-B1 ORGANOMETALLIC COMPOUND CONTAINING TRANSITION METAL RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2002-06-25 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 (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-20020183535-A1 Metal catalysts and methods for making and using same COMT, SLC6A3, SLC6A2 MAPT 2849/4885POLB 1252/4885KDM1A 2630/4885
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS SLCO1B3, SLCO2B1, FLI1 MAPT 2278/4885POLB 471/4885KDM1A 3707/4885
US-20050010049-A1 Metal catalysts and methods for making and using same SLC6A3, COMT, DRD4 MAPT 1443/4885POLB 2171/4885KDM1A 2806/4885
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents HTR2C, HTR2A, HTR5A MAPT 4271/4885POLB 4713/4885KDM1A 3105/4885

“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.