SCHEMBL4064855

SCHEMBL4064855

Cc1c(Cc2cc(CO)c(O)c(C)c2C)cc(CO)c(O)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.50
KDM4E B2RXH2 3/20 0.38
CASP6 P55212 1/20 0.38
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
AMY1A P0DUB6 1/20 0.35
HSPA5 P11021 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDXK O00764 2/20 0.34
CYP2D6 P10635 1/20 0.34
LMNA P02545 2/20 0.32
PTPN1 P18031 1/20 0.32
MAOA P21397 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
AOX1 Q06278 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
SCHEMBL31612189 1.00 SHBG (0.50) SHBGKDM4ECASP6HSD17B10ALDH1A1
SCHEMBL2220484 0.91 SHBG (0.48) SHBGKDM4ECASP6HSD17B10ALDH1A1
Methane SCHEMBL27819860 0.77 SHBG (0.45) SHBGKDM4ECASP6HSD17B10ALDH1A1
Methane SCHEMBL2221487 0.77 SHBG (0.45) SHBGKDM4ECASP6HSD17B10ALDH1A1
SCHEMBL27502458 0.76 SHBG (0.48) SHBGKDM4ECASP6HSD17B10ALDH1A1
SCHEMBL30485796 0.76 SHBG (0.43) SHBGKDM4EHSD17B10ALDH1A1AMY1A
SCHEMBL1176032 0.76 SHBG (0.43) SHBGKDM4EHSD17B10ALDH1A1AMY1A
SCHEMBL31146724 0.76 SHBG (0.43) SHBGKDM4EHSD17B10ALDH1A1AMY1A
SCHEMBL18541219 0.75 SHBG (0.39) SHBGKDM4ECASP6HSD17B10ALDH1A1
SCHEMBL210506 0.74 AMY1A (0.61) SHBGKDM4ECASP6HSD17B10ALDH1A1

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 SHBG 3960/4885KDM4E 1317/4885CASP6 2431/4885

“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.