SCHEMBL13085692

SCHEMBL13085692

COc1cc(C(C)C)cc2c1OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 2/20 0.40
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ACHE P22303 1/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 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
SCHEMBL13085629 0.93 PLK1 (0.44) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL4716180 0.87 PLK1 (0.51) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL12781853 0.86 CYP3A4 (0.54) ALDH1A1POLBCYP3A4LMNASMN1; SMN2
SCHEMBL13085619 0.78 CYP2A6 (0.38) PLK1ALDH1A1KDM4EPOLBLMNA
SCHEMBL13054420 0.77 GABRA1 (0.38) PLK1ALDH1A1LMNASMN1; SMN2PTGS1
SCHEMBL22607369 0.77 PTGS1 (0.38) PLK1ALDH1A1KDM4ETDP1LMNA
SCHEMBL11999824 0.77 PLK1 (0.54) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL5309009 0.76 PLK1 (0.50) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL24345429 0.76 CTNNB1 (0.33) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL12184928 0.75 PLK1 (0.53) PLK1ALDH1A1KDM4EPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 US disclosed
US-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES CLARK RICHARD 2010-07-22 US disclosed
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
EP-2000465-A1 TRIAZOLONE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-12-10 EP disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 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-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 PLK1 4218/4885ALDH1A1 1133/4885KDM4E 2586/4885
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 PLK1 4352/4885ALDH1A1 1107/4885KDM4E 2717/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 PLK1 2821/4885ALDH1A1 710/4885KDM4E 3720/4885

“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.