SCHEMBL13085693

SCHEMBL13085693

COc1cc(C(C)C)c(F)cc1OCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.40
KCNH2 Q12809 4/20 0.40
TMEM97 Q5BJF2 4/20 0.40
SIGMAR1 Q99720 4/20 0.40
P2RX3 P56373 2/20 0.39
P2RX2 Q9UBL9 2/20 0.39
EGFR P00533 1/20 0.39
HTR2A P28223 4/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL13085628 0.83 P2RX3 (0.43) TUBB1P2RX3P2RX2HTR2AHTR2C
SCHEMBL5166833 0.83 P2RX3 (0.45) P2RX3P2RX2HTR2AGAAPOLB
SCHEMBL13241835 0.81 PSEN1 (0.36) KCNH2TMEM97SIGMAR1GAAMEN1
SCHEMBL13096059 0.79 TUBB1 (0.43) TUBB1KCNH2TMEM97SIGMAR1EGFR
SCHEMBL15927601 0.78 P2RX3 (0.41) P2RX3P2RX2GAAALDH1A1POLB
SCHEMBL13085615 0.76 TUBB1 (0.42) TUBB1KCNH2TMEM97SIGMAR1GAA
SCHEMBL13241837 0.76 PDE4A (0.43) P2RX3P2RX2HTR2AGAAPOLB
SCHEMBL8226478 0.74 CARM1 (0.44) GAAMEN1ALDH1A1KMT2A
SCHEMBL29786811 0.74 P2RX3 (0.38) P2RX3P2RX2GAAALDH1A1POLB
SCHEMBL13085607 0.74 MEN1 (0.40) TUBB1KCNH2TMEM97SIGMAR1HTR2C

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 7 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-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 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
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 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 TUBB1 4838/4885KCNH2 2424/4885TMEM97 3494/4885
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 TUBB1 4828/4885KCNH2 2290/4885TMEM97 3501/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 TUBB1 1830/4885KCNH2 508/4885TMEM97 3795/4885

“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.