SCHEMBL6310489

SCHEMBL6310489

CC(C)(C)c1oc(=O)oc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.36
GLRA3 O75311 1/20 0.32
GLRB P48167 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
GRIK5 Q16478 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL28733623 0.67 CYP1A2 (0.48) MEN1KMT2ACYP1A2GLRA3GLRB
SCHEMBL28397194 0.65 CYP1A2 (0.36) CYP1A2
SCHEMBL28783986 0.63 GLRA3 (0.42) MEN1KMT2ACYP1A2GLRA3GLRB
SCHEMBL4960198 0.62
SCHEMBL16267376 0.57 ALDH1A1 (0.46) MEN1KMT2ACYP1A2ALDH1A1KDM4E
SCHEMBL1356879 0.57 CYP1A2 (0.55) MEN1KMT2ACYP1A2ALDH1A1KDM4E
SCHEMBL4353430 0.54 CYP1A2 (0.59) MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL28353288 0.54 CYP1A2 (0.50) MEN1KMT2ACYP1A2ALDH1A1KDM4E
SCHEMBL1582401 0.54 CYP1A2 (1.00) MEN1KMT2ACYP1A2
SCHEMBL21246419 0.54

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172598-A1 COMPOUNDS HAVING TAFIa INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-07-05 US disclosed
US-20050239751-A1 Heterocyclic anti-viral compounds comprising metabolizable moieties and their uses RIGEL PHARMACEUTICALS, INC. (US) 2005-10-27 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-20120172598-A1 COMPOUNDS HAVING TAFIa INHIBITORY ACTIVITY TAF1, TFPI, TAF1L MEN1 3779/4885KMT2A 3997/4885CYP1A2 1100/4885
US-20050239751-A1 Heterocyclic anti-viral compounds comprising metabolizable moieties and their uses HAVCR2, HCCS, AADAC MEN1 4517/4885KMT2A 3996/4885CYP1A2 75/4885

“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.