SCHEMBL4128033

SCHEMBL4128033

COC(=O)c1c(C)c(-c2ccc3ccccc3c2)cc(C(C)(C)C)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.51
SLC6A4 P31645 5/20 0.51
SLC6A2 P23975 4/20 0.51
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ALPL P05186 1/20 0.41
PTPN1 P18031 1/20 0.40
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
ERN1 O75460 1/20 0.38

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
SCHEMBL4123242 0.85 ALOX15 (0.48) MEN1HTTKMT2ACCNCCDK8
SCHEMBL4120806 0.84 POLQ (0.42) KDM4EMEN1KMT2AALPLALDH1A1
SCHEMBL4134604 0.82 SLC6A3 (0.41) SLC6A3SLC6A4SLC6A2KDM4ELMNA
SCHEMBL4121518 0.81 KDM4E (0.42) KDM4EMEN1LMNACYP2C9CYP2C19
SCHEMBL4123695 0.79 KDM4E (0.43) SLC6A3KDM4EMEN1CYP3A4KMT2A
SCHEMBL4122975 0.79 TNFRSF1A (0.42) SLC6A3ERN1ALDH1A1HPGD
SCHEMBL4127663 0.79 CNR2 (0.39) LMNAALDH1A1HSD17B10
SCHEMBL4121059 0.78 CYP11B1 (0.42) KDM4ECYP1A2MEN1CYP3A4CYP2C9
SCHEMBL4114952 0.76 CYP3A4 (0.42) KDM4ECYP1A2LMNACYP3A4CYP2C9
SCHEMBL4123104 0.76 AKR1C3 (0.38) PTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 SLC6A3 1449/4885SLC6A4 920/4885SLC6A2 1525/4885

“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.