SCHEMBL4397519

SCHEMBL4397519

CCC(CC)COc1ccc([O])cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.41
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FFAR1 O14842 1/20 0.37
PPARD Q03181 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
APP P05067 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL5145774 0.86 CYP3A4 (0.48) LMNAMAPTTSHRALDH1A1
SCHEMBL16572200 0.79 KDM4E (0.49) NQO1MAPTTSHRALDH1A1APP
SCHEMBL7517540 0.79 NQO1 (0.41) NQO1LMNAPOLBMAPTNPSR1
SCHEMBL18426854 0.79 SCN4A (0.49) NQO1ALDH1A1APPTHRBSMN1; SMN2
SCHEMBL10718066 0.79 TDP1 (0.59) NQO1MAPTTSHRALDH1A1APP
SCHEMBL6685868 0.79 ALDH1A1 (0.53) LMNAMAPTALDH1A1APPSMN1; SMN2
SCHEMBL4400577 0.78 MAPT (0.47) LMNAPOLBMAPTNPSR1TSHR
SCHEMBL11068214 0.78 LMNA (0.57) LMNAMAPT
SCHEMBL14553340 0.76 LTA4H (0.42) NQO1MAPTTSHRAPPTHRA
SCHEMBL17108356 0.76 USP2 (0.44) NQO1LMNAMAPTNPSR1TSHR

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 NQO1 2110/4885LMNA 1502/4885POLB 3906/4885

“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.