SCHEMBL5336325

SCHEMBL5336325

COc1cc(CCl)c(C=O)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.57
LMNA P02545 2/20 0.50
ALDH1A1 P00352 3/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
CYP1A2 P05177 4/20 0.40
CYP1A1 P04798 3/20 0.40
CYP1B1 Q16678 3/20 0.40
APLNR P35414 1/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
PRKDC P78527 1/20 0.37
MAOA P21397 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL10158585 0.83 ERN1 (0.62) ERN1LMNAALDH1A1ABCG2CYP1A2
2,4,6-Trimethoxybenzaldehyde SCHEMBL34873 0.81 ERN1 (0.74) ERN1LMNAALDH1A1ABCG2CYP1A2
2,4,6-Trimethoxybenzaldehyde SCHEMBL28687257 0.79 ERN1 (0.71) ERN1LMNAALDH1A1ABCG2CYP1A2
SCHEMBL348538 0.78 LMNA (0.56) ERN1LMNAALDH1A1ABCG2APLNR
SCHEMBL21710556 0.78 ERN1 (0.51) ERN1LMNAPTGS2TDP1
2,4,6-Trimethoxybenzaldehyde SCHEMBL28687256 0.77 ERN1 (0.75) ERN1LMNAALDH1A1ABCG2CYP1A2
SCHEMBL1428091 0.77 ERN1 (0.62) ERN1LMNAALDH1A1ABCG2CYP1A2
SCHEMBL1645590 0.77 ERN1 (0.62) ERN1LMNAALDH1A1ABCG2CYP1A2
SCHEMBL28301424 0.75 ABCB1 (0.50) ERN1LMNAALDH1A1ABCG2CYP1A2
SCHEMBL30230047 0.74 ERN1 (0.65) ERN1LMNAALDH1A1ABCG2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288650-B2 Cyclic substituted fused pyrrolocarbazoles and isoindolones CEPHALON, INC. (US) 2007-10-30 US disclosed
US-7074793-B2 Cyclic substituted fused pyrrolocarbazoles and isoindolones CEPHALON, INC. (US) 2006-07-11 US disclosed
US-20060128780-A1 Cyclic substituted fused pyrrolocarbazoles and isoindolones CEPHALON, INC. (US) 2006-06-15 US disclosed
EP-1315732-B1 RADICICOL AND MONOCILLIN AND THEIR ANALOGUES AND USES THEREOF SLOAN KETTERING INST CANCER (US) 2006-06-07 EP disclosed
US-6841567-B1 Cyclic substituted fused pyrrolocarbazoles and isoindolones CEPHALON, INC. (US) 2005-01-11 US disclosed
US-20040186157-A1 Cyclic substituted fused pyrrolocarbazoles and isoindolones CEPHALON, INC. (US) 2004-09-23 US disclosed
EP-1315732-A2 RADICICOL AND MONOCILLIN AND THEIR ANALOGUES AND USES THEREOF Sloan-Kettering Institute For Cancer Research (US) 2003-06-04 EP disclosed
US-20020091151-A1 Novel macrocycles and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2002-07-11 US disclosed
WO-2002016369-A2 NOVEL MACROCYCLES AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2002-02-28 WO disclosed
EP-1165562-A1 CYCLIC SUBSTITUTED FUSED PYRROLOCARBAZOLES AND ISOINDOLONES Cephalon, Inc. (US) 2002-01-02 EP disclosed
WO-2000047583-A9 CYCLIC SUBSTITUTED FUSED PYRROLOCARBAZOLES AND ISOINDOLONES CEPHALON INC (US) 2001-09-20 WO disclosed
WO-2000047583-A1 CYCLIC SUBSTITUTED FUSED PYRROLOCARBAZOLES AND ISOINDOLONES CEPHALON, INC. (US) 2000-08-17 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 (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-20040186157-A1 Cyclic substituted fused pyrrolocarbazoles and isoindolones PIN1, PAICS, QPCT ERN1 4285/4885LMNA 3578/4885ALDH1A1 1908/4885
US-20020091151-A1 Novel macrocycles and uses thereof ABCE1, DCK, BDKRB1 ERN1 1901/4885LMNA 1716/4885ALDH1A1 1572/4885
US-20060128780-A1 Cyclic substituted fused pyrrolocarbazoles and isoindolones PIN1, PAICS, QPCT ERN1 4285/4885LMNA 3578/4885ALDH1A1 1908/4885

“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.