SCHEMBL4396493

SCHEMBL4396493

Cc1cc(C)c([O])c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
RAPGEF4 Q8WZA2 7/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
MPI P34949 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 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
SCHEMBL1805217 0.86 TSHR (0.36) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL5961690 0.80 NMT1 (0.40) ALDH1A1MAPTKMT2AL3MBTL1MEN1
SCHEMBL56956 0.80 RAPGEF4 (0.45) TSHRALDH1A1MAPTLMNARAPGEF4
SCHEMBL5004053 0.79 RAPGEF4 (0.43) HTTTSHRALDH1A1KMT2ARAPGEF4
Phosphine SCHEMBL28013108 0.77 RAPGEF4 (0.43) TSHRALDH1A1MAPTKMT2ALMNA
SCHEMBL10922048 0.75 KDM4E (0.37) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL11876475 0.72 RAPGEF4 (0.58) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL1755250 0.72 RAPGEF4 (0.41) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL1214996 0.69 TSHR (0.41) TSHRALDH1A1RAPGEF4SMN1; SMN2
SCHEMBL28153927 0.68 RAPGEF4 (0.39) HTTTSHRALDH1A1MAPTKMT2A

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 HTT 2128/4885TSHR 3610/4885ALDH1A1 4231/4885

“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.