SCHEMBL4394149

SCHEMBL4394149

Cc1ccc(-c2ccc([O])cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
KIF11 P52732 1/20 0.43
HPGD P15428 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP2A6 P11509 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL57401 0.90
Hydrogen Sulfide SCHEMBL27475004 0.87
SCHEMBL18661495 0.83 ACHE (0.73) ACHETDP1KIF11HPGDCYP2D6
SCHEMBL3287696 0.83 ACHE (0.73) ACHETDP1KIF11HPGDCYP2D6
SCHEMBL197731 0.83 ACHE (0.73) ACHETDP1KIF11HPGDCYP2D6
SCHEMBL14677847 0.83 ALDH1A1 (0.38) TDP1HSD17B10ALDH1A1CA2CA9
Water SCHEMBL3680095 0.79 ACHE (0.67) ACHETDP1KIF11HPGDCYP2D6
SCHEMBL31591282 0.79 ACHE (0.67) ACHETDP1KIF11HPGDCYP2D6
SCHEMBL31498547 0.79 ACHE (0.67) ACHETDP1KIF11HPGDCYP2D6
Water SCHEMBL3763584 0.79 ACHE (0.67) ACHETDP1KIF11HPGDCYP2D6

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 ACHE 197/4885TDP1 4127/4885KIF11 2857/4885

“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.