SCHEMBL4059950

SCHEMBL4059950

CC(C)(c1cc(Cc2ccc(O)cc2)c(O)c(C2CCCCC2)c1)c1cc(Cc2ccc(O)cc2)c(O)c(C2CCCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.38
CYP2D6 P10635 4/20 0.38
CYP2C19 P33261 4/20 0.38
NUDT1 P36639 1/20 0.37
BACE1 P56817 1/20 0.37
HSD17B10 Q99714 3/20 0.36
CYP2C9 P11712 2/20 0.36
TSHR P16473 2/20 0.36
ESR2 Q92731 6/20 0.34
ESR1 P03372 6/20 0.34
CYP3A4 P08684 1/20 0.34
AR P10275 1/20 0.34
HPGD P15428 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR6 P50406 1/20 0.34
ESRRG P62508 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4056336 0.85 ESR1 (0.43) CYP1A2CYP2D6CYP2C19NUDT1BACE1
SCHEMBL4061548 0.82 NUDT1 (0.44) CYP2D6NUDT1BACE1CYP2C9ESR2
SCHEMBL4058701 0.80 ALOX15 (0.50) HSD17B10TSHRESR2ESR1CYP3A4
SCHEMBL8141767 0.80 NUDT1 (0.40) NUDT1BACE1ESR2ESR1NPC1
SCHEMBL11413208 0.79 CYP2C19 (0.49) CYP1A2CYP2D6CYP2C19NUDT1BACE1
SCHEMBL2545354 0.79 AMY1A (0.50) CYP1A2CYP2D6CYP2C19NUDT1BACE1
SCHEMBL9655970 0.79 KDM4E (0.42) CYP1A2CYP2D6CYP2C19NUDT1BACE1
SCHEMBL8142469 0.79 NUDT1 (0.39) NUDT1BACE1ESR2ESR1NPC1
SCHEMBL2386130 0.79 SHBG (0.43) CYP1A2CYP2D6CYP2C19NUDT1BACE1
SCHEMBL2385696 0.79 NUDT1 (0.39) CYP2C19NUDT1BACE1CYP2C9ESR2

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-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 CYP1A2 1607/4885CYP2D6 2877/4885CYP2C19 1402/4885

“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.