SCHEMBL12255149

SCHEMBL12255149

CCc1cccc(CCC(=O)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.52
▸ BRD4 O60885 1/20 0.49
▸ CYP4F2 P78329 3/20 0.49
▸ CYP4A11 Q02928 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PTPN1 P18031 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43

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
SCHEMBL19540906 0.90 SIRT2 (0.52) SIRT2BRD4CYP4F2CYP4A11ALDH1A1
SCHEMBL17683316 0.87 SIRT2 (0.50) SIRT2CYP4F2CYP4A11HDAC1HDAC6
SCHEMBL1410879 0.86 SIRT2 (0.52) SIRT2BRD4CYP4F2CYP4A11ALDH1A1
SCHEMBL28655132 0.86 SLC7A5 (0.57) SIRT2BRD4CYP4F2CYP4A11ALDH1A1
SCHEMBL7716761 0.85 SIRT2 (0.51) SIRT2BRD4CYP4F2CYP4A11ALDH1A1
SCHEMBL15504971 0.85 SIRT2 (0.51) SIRT2BRD4CYP4F2CYP4A11ALDH1A1
SCHEMBL5043214 0.85 LOXL2 (0.57) SIRT2BRD4CYP4F2CYP4A11ALDH1A1
SCHEMBL13104077 0.85 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1TDP1MAPT
SCHEMBL13577590 0.85 CYP1A2 (0.54) CYP4F2CYP4A11ALDH1A1KDM4ELMNA
SCHEMBL3295184 0.85 SIRT2 (0.51) SIRT2BRD4CYP4F2CYP4A11ALDH1A1

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-20210323913-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-10-21 — — US disclosed
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 — — US disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 — — 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-20070190071-A1 9-Substituted 8-oxoadenine compound IFNAR1, IL5, IFNG SIRT2 2681/4885BRD4 1255/4885CYP4F2 1911/4885
US-20210323913-A1 SIGMA RECEPTOR BINDERS SIGMAR1, OPRK1, OPRL1 SIRT2 4062/4885BRD4 1279/4885CYP4F2 3847/4885

“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.

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