SCHEMBL4053879

SCHEMBL4053879

CCCOc1ccc(-c2ccc(OC(C)OCC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.45
ACACA Q13085 8/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
LTA4H P09960 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX12 P18054 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4059616 0.88 LMNA (0.46) ACACBACACACYP3A4CYP2D6MAPT
SCHEMBL13845297 0.87 ACACB (0.50) ACACBLTA4H
SCHEMBL13845291 0.86 PPARA (0.47) LTA4HL3MBTL1
SCHEMBL13845281 0.83 CA12 (0.39) ACACBACACALTA4HKDM4EL3MBTL1
SCHEMBL3852488 0.82 LMNA (0.52) LTA4HL3MBTL1
SCHEMBL4061902 0.81 CYP1A2 (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL13845285 0.80 MAPT (0.50) CYP3A4CYP2D6SMN1; SMN2NPC1MAPT
SCHEMBL17108413 0.80 CYP3A4 (0.63) ACACBACACACYP3A4CYP2D6RAB9A
SCHEMBL9152649 0.80 CYP3A4 (0.63) ACACBACACACYP3A4CYP2D6RAB9A
SCHEMBL6836988 0.80 CYP3A4 (0.63) ACACBACACACYP3A4CYP2D6RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
EP-1375463-A1 OPTICALLY ACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Kansai Research Institute, Inc. (JP) 2004-01-02 EP disclosed
US-20030211421-A1 Optically active compound and photosensitive resin composition KRI, INC. (JP) 2003-11-13 US 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-20030211421-A1 Optically active compound and photosensitive resin composition ARCN1, RAD51, PAM ACACB 4685/4885ACACA 4235/4885CYP3A4 2999/4885

“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.