SCHEMBL6333378

SCHEMBL6333378

CCOC(=O)c1ccc(CCCOS(C)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
RECQL P46063 1/20 0.51
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
ESR1 P03372 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
ESR2 Q92731 1/20 0.49
CA14 Q9ULX7 1/20 0.49
STS P08842 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP4A11 Q02928 3/20 0.45

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
SCHEMBL11045152 0.91 HPGD (0.54) HPGDRECQLCA1CA2CA12
Alcohol SCHEMBL11045150 0.89 HPGD (0.51) HPGDRECQLCA1CA2CA12
SCHEMBL3123864 0.85 CYP4A11 (0.62) HPGDCA1CA2CA12CA7
SCHEMBL6853639 0.84 KMT2A (0.55) HPGDESR1ESR2LMNACYP3A4
SCHEMBL4130599 0.82 CYP4A11 (0.47) HPGDRECQLCA1CA2CA12
SCHEMBL9040138 0.82 RARB (0.53) LMNAKMT2ACYP4A11CYP4F2ALDH1A1
SCHEMBL18095332 0.82 TDP1 (0.54) HPGDRECQLSTSGAATP53
SCHEMBL8567015 0.82 CA1 (0.46) CA1CA2CA12CA9CA14
SCHEMBL8732251 0.81 CYP4A11 (0.63) HPGDCA1CA2CA12CA7
SCHEMBL8684166 0.81 PARP10 (0.42) CA1CA2LMNASMN1; SMN2CYP4A11

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-6908989-B2 Process for the production of perbenzylated 1-O-glycosides SCHERING AG (DE) 2005-06-21 US disclosed
US-6545135-B2 Alkylation SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-08 US disclosed
US-20030055242-A1 Process for the production of perbenzylated 1-O-glycosides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-03-20 US disclosed
US-20020002274-A1 Process for the production of perbenzylated 1-0-glycosides SCHERING AKTIENGESELLSCHAFT 2002-01-03 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 (2 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-20030055242-A1 Process for the production of perbenzylated 1-O-glycosides MAN1B1, STT3B, OSTC HPGD 612/4885RECQL 3885/4885CA1 1706/4885
US-20020002274-A1 Process for the production of perbenzylated 1-0-glycosides STT3B, MAN1B1, OSTC HPGD 717/4885RECQL 4072/4885CA1 1487/4885

“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.