SCHEMBL801588

SCHEMBL801588

COc1cc(C(C)C)ccc1OCC#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 8/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ACHE P22303 4/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
BCHE P06276 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
FDPS P14324 3/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL801384 0.94 ALDH1A1 (0.45) CYP1A2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL12832999 0.81 PDK2 (0.38) LMNASMN1; SMN2MEN1KMT2AACHE
SCHEMBL682781 0.80 GAA (0.56) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL84033 0.78 PPARG (0.53) CYP1A2ALDH1A1LMNAMAPTKMT2A
SCHEMBL13241827 0.78 ACHE (0.37) MAPTSMN1; SMN2ACHEBCHERAB9A
SCHEMBL13077263 0.78 ACHE (0.59) CYP1A2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL11951573 0.78 SMN1; SMN2 (0.54) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL4867129 0.78 FDPS (0.48) CYP1A2ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL24805233 0.77 ALDH1A1 (0.34) CYP1A2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL19364184 0.77 P2RX3 (0.42) CYP1A2ALDH1A1LMNAMAPTSMN1; SMN2

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-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 US disclosed
US-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 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
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 (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-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 CYP1A2 609/4885ALDH1A1 1133/4885LMNA 2050/4885
US-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS PDF, EIF5B, EIF4E CYP1A2 3753/4885ALDH1A1 3464/4885LMNA 3542/4885
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 CYP1A2 648/4885ALDH1A1 1107/4885LMNA 2064/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 CYP1A2 45/4885ALDH1A1 710/4885LMNA 1245/4885

“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.