SCHEMBL4396347

SCHEMBL4396347

[O]c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
LMNA P02545 1/20 0.50
CYP2A6 P11509 1/20 0.50
AHR P35869 2/20 0.48
ALOX5 P09917 1/20 0.44
KIF11 P52732 1/20 0.43
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALAD P13716 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL132518 0.90
SCHEMBL11165087 0.83 CYP1A2 (0.73) CYP1A2LMNACYP2A6AHRALOX5
SCHEMBL3952742 0.83 CYP1A2 (0.73) CYP1A2LMNACYP2A6AHRALOX5
SCHEMBL28215 0.83 CYP1A2 (0.73) CYP1A2LMNACYP2A6AHRALOX5
SCHEMBL14677847 0.83 ALDH1A1 (0.38) CYP1A2ALDH1A1CYP3A4MAPK1HSD17B10
SCHEMBL28631682 0.80 CYP1A2 (0.61) CYP1A2LMNACYP2A6AHRALOX5
SCHEMBL25437316 0.79 CYP1A2 (0.69) CYP1A2LMNACYP2A6AHRALOX5
Hydrogen Sulfide SCHEMBL10394839 0.79 CYP1A2 (0.69) CYP1A2LMNACYP2A6AHRALOX5
Ethyne SCHEMBL29216096 0.76 CYP1A2 (0.65) CYP1A2LMNACYP2A6AHRALOX5
SCHEMBL8683710 0.75 IDO1 (0.46) LMNACYP2A6ALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 CYP1A2 3682/4885LMNA 1502/4885CYP2A6 4014/4885

“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.