SCHEMBL4397354

SCHEMBL4397354

CC(C)(C)C1CCC(c2ccc([O])cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.38
SLC18A3 Q16572 2/20 0.38
GLA P06280 1/20 0.37
CYP2C9 P11712 2/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.33
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL2094892 0.82 ESR2 (0.46) ESR2SLC18A3CYP2C9POLBNPC1
SCHEMBL3133672 0.80 ESR2 (0.62) ESR2CYP2C9ESR1CYP3A4
SCHEMBL28106275 0.80 SLC18A3 (0.40) ESR2SLC18A3GLACYP2C9MAPT
SCHEMBL25072706 0.80 ALDH1A1 (0.41) ESR2SLC18A3CYP2C9ALDH1A1
SCHEMBL12000552 0.80 DRD2 (0.47) ESR2SLC18A3CYP2C9MAPTLMNA
SCHEMBL1088678 0.78 SLC18A3 (0.39) ESR2SLC18A3GLACYP2C9MAPT
SCHEMBL3675102 0.77 DRD2 (0.49) CYP2C9MAPTALDH1A1MEN1KMT2A
SCHEMBL4400574 0.77 ESR2 (0.63) ESR2CYP2C9MAPTALDH1A1LMNA
SCHEMBL18723929 0.76 SPHK1 (0.37) ESR2SLC18A3CYP2C9CYP19A1ESR1
SCHEMBL2952085 0.74 ALDH1A1 (0.52) GLACYP2C9MAPTALDH1A1LMNA

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 ESR2 2909/4885SLC18A3 189/4885GLA 1730/4885

“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.