SCHEMBL6860913

SCHEMBL6860913

C[C](C)COP(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ESR1 P03372 4/20 0.35
ESR2 Q92731 4/20 0.35
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL8460972 0.80 ALOX15 (0.48) TDP1ALDH1A1L3MBTL1HPGDALOX15
SCHEMBL196443 0.76 CYP3A4 (0.39) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL13761754 0.76 CA2 (0.41) CYP3A4TDP1ALDH1A1MAPK1HPGD
SCHEMBL3963406 0.75 CYP3A4 (0.43) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL389752 0.74 TSHR (0.50) CYP3A4TDP1ALDH1A1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL28411663 0.73 AGXT (0.48) CYP3A4TDP1ALDH1A1L3MBTL1LMNA
SCHEMBL685567 0.73 ALDH1A1 (0.46) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL1726314 0.73 LMNA (0.39) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL5346768 0.71 CYP3A4 (0.39) CYP3A4TDP1ESR1ESR2
SCHEMBL7267343 0.71 ALDH1A1 (0.38) CYP3A4TDP1ALDH1A1LMNAMAPK1

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-6794528-B2 HEAT RESISTANCE, FLAME RETARDERS, STABILIZERS; REACTING DIALCOHOL COMPOUND WITH A PHOSPHYL OXYCHLORIDE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-21 US disclosed
US-20030109736-A1 Phosphorus compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-12 US disclosed
EP-1277758-A1 PHOSPHORUS COMPOUND Daicel Chemical Industries, Ltd. (JP) 2003-01-22 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-20030109736-A1 Phosphorus compound NR4A1, POLL, NR0B1 CYP3A4 3011/4885TDP1 1650/4885ESR1 2674/4885

“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.