SCHEMBL289131

SCHEMBL289131

NC1(CC(=O)O)CCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
CACNA2D1 P54289 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP2C19 P33261 1/20 0.50
HSD11B1 P28845 3/20 0.37
POLB P06746 1/20 0.35
GRM1 Q13255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL498155 0.97 TSHR (0.56) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL20198601 0.97 TSHR (0.56) CYP1A2USP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL3705397 0.97 CYP1A2 (0.50) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL20104809 0.97 TSHR (0.56) CYP1A2USP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL7609840 0.95 TSHR (0.54) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL430341 0.95
SCHEMBL4115624 0.89
Sulfuric Acid SCHEMBL4208350 0.89 CYP1A2 (0.48) CYP1A2USP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL16666607 0.86
Trifluoroacetic Acid SCHEMBL22342626 0.85 USP2 (0.46) CYP1A2USP2ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US claimed
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 EP claimed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US claimed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 EP claimed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 US claimed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 US claimed
EP-2836485-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2015-02-18 EP claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 EP claimed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 WO claimed
CN-101466730-B A process for the preparation of poly-alfa-glutamic acid andderivatives thereof CELL THERAPEUTICS INC SEDE SEC 2013-09-04 CN claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US claimed
EP-2364991-A1 A process for the preparation of poly-alfa-glutamic acid and derivatives thereof Cell Therapeutics, Inc. - Sede Secondaria (IT) 2011-09-14 EP claimed
US-20110196123-A1 PROCESS FOR THE PREPARATION OF POLY-alpha-GLUTAMIC ACID AND DERIVATIVES THEREOF CELL THERAPEUTICS, INC. (US) 2011-08-11 US claimed
WO-2011014973-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2011-02-10 WO claimed
CN-101466730-A A process for the preparation of poly-alfa-glutamic acid andderivatives thereof CELL THERAPEUTICS INC SEDE SEC (IT) 2009-06-24 CN claimed
EP-2027145-A1 A PROCESS FOR THE PREPARATION OF POLY-ALFA-GLUTAMIC ACID AND DERIVATIVES THEREOF Cell Therapeutics, Inc. - Sede Secondaria (IT) 2009-02-25 EP claimed
EP-1932852-A1 Novel taxane related peptides and uses thereof Campiani, Giuseppe (IT) 2008-06-18 EP claimed
US-20080051603-A1 Process for the preparation of poly-alpha-glutamic acid and derivatives thereof CELL THERAPEUTICS, INC. (US) 2008-02-28 US claimed
WO-2007144140-A1 A PROCESS FOR THE PREPARATION OF POLY-ALFA-GLUTAMIC ACID AND DERIVATIVES THEREOF CELL THERAPEUTICS INC. - SEDE SECONDARIA (IT) 2007-12-21 WO claimed
EP-1867657-A1 Process for the preparation of poly-a-glutamic acid and derivatives thereof Cell Therapeutics Europe S.R.L. (IT) 2007-12-19 EP claimed

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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A CYP1A2 882/4885USP2 4325/4885ALDH1A1 4268/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS CYP1A2 3680/4885USP2 2386/4885ALDH1A1 4415/4885
US-20080051603-A1 Process for the preparation of poly-alpha-glutamic acid and derivatives thereof GLUL, QPCT, GABRP CYP1A2 4456/4885USP2 456/4885ALDH1A1 1318/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS CYP1A2 3680/4885USP2 2386/4885ALDH1A1 4415/4885

“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.