SCHEMBL2243835

SCHEMBL2243835

Cc1cc([N+]([O-])=Cc2ccccc2)cc(C)c1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.53
PTGS2 P35354 5/20 0.53
ALOX5 P09917 4/20 0.53
TTR P02766 2/20 0.53
G6PD P11413 2/20 0.50
ALDH1A1 P00352 7/20 0.46
MAPT P10636 6/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FBP1 P09467 1/20 0.40
GPR35 Q9HC97 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL12355310 1.00 PTGS1 (0.53) PTGS1PTGS2ALOX5TTRG6PD
SCHEMBL11405206 0.86 G6PD (0.53) PTGS1PTGS2ALOX5TTRG6PD
SCHEMBL11411182 0.82 G6PD (0.53) PTGS1PTGS2ALOX5TTRG6PD
SCHEMBL11410190 0.81 G6PD (0.56) G6PDALDH1A1MAPTALOX15TSHR
SCHEMBL11404389 0.80 G6PD (0.55) G6PDALDH1A1MAPTALOX15TSHR
SCHEMBL11414206 0.80 G6PD (0.51) PTGS1PTGS2ALOX5TTRG6PD
SCHEMBL11406439 0.77 G6PD (0.60) G6PDALDH1A1MAPTALOX15TSHR
SCHEMBL11404342 0.77 G6PD (0.56) G6PDALDH1A1MAPTALOX15TSHR
SCHEMBL264277 0.75 ALDH1A1 (0.73) G6PDALDH1A1MAPTALOX15TSHR
SCHEMBL12349218 0.75 ALDH1A1 (0.73) G6PDALDH1A1MAPTALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265620-B1 SPIRO DERIVATIVES OF PARTHENIN AS NOVEL ANTICANCER AGENTS COUNCIL SCIENT IND RES (IN) 2014-06-18 EP disclosed
US-8609858-B2 Spiro derivatives of parthenin as novel anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-12-17 US disclosed
US-20110201661-A1 Spiro Derivatives of Parthenin as Novel Anticancer Agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-08-18 US disclosed
EP-2265620-A1 SPIRO DERIVATIVES OF PARTHENIN AS NOVEL ANTICANCER AGENTS Council Of Scientific & Industrial Research (IN) 2010-12-29 EP disclosed
WO-2009110007-A1 SPIRO DERIVATIVES OF PARTHENIN AS NOVEL ANTICANCER AGENTS COUNCIL QF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-11 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-20110201661-A1 Spiro Derivatives of Parthenin as Novel Anticancer Agents CDK10, NEK10, AKR1B10 PTGS1 1873/4885PTGS2 2342/4885ALOX5 891/4885

“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.