SCHEMBL21757421

SCHEMBL21757421

Cc1cc(OCCC(C)(C)C(=O)OCC(C)C)c(C)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TDP1 Q9NUW8 2/20 0.36
PPARA Q07869 2/20 0.36
CYP1A2 P05177 2/20 0.36
ADRA1A P35348 2/20 0.36
TTR P02766 1/20 0.36
CYP2C8 P10632 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
PPARG P37231 1/20 0.36
HTR2B P41595 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL21757415 0.94 PPARA (0.43) GALR3POLBMAPTTSHRSMN1; SMN2
SCHEMBL21757427 0.93 PPARA (0.40) GALR3POLBMAPTTSHRSMN1; SMN2
SCHEMBL21757359 0.84 PPARA (0.39) MAPTTSHRSMN1; SMN2TDP1PPARA
SCHEMBL24304061 0.84 PPARA (0.39) TSHRSMN1; SMN2TDP1PPARACYP1A2
SCHEMBL24303954 0.84 SMN1; SMN2 (0.37) GALR3POLBMAPTTSHRSMN1; SMN2
SCHEMBL23586694 0.83 PPARA (0.38) TSHRSMN1; SMN2TDP1PPARACYP1A2
SCHEMBL21753558 0.80 PPARA (0.55) GALR3POLBMAPTTSHRSMN1; SMN2
SCHEMBL21753566 0.80 PPARA (0.43) POLBTSHRSMN1; SMN2TDP1PPARA
SCHEMBL21757404 0.80 PPARA (0.43) TSHRSMN1; SMN2TDP1PPARACYP1A2
SCHEMBL21757389 0.79 PPARA (0.40) TSHRSMN1; SMN2TDP1PPARACYP1A2

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-20220119333-A1 PHENOXY ACID COMPOUNDS AND MEDICAL USES THEREOF QINGDAO WHOLESOMTECH CO., LTD. (CN) 2022-04-21 US disclosed
WO-2020038464-A1 FIBRIC ACID COMPOUND AND MEDICAL USE THEREOF 北京厚燊药德科技有限责任公司 2020-02-27 WO 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-20220119333-A1 PHENOXY ACID COMPOUNDS AND MEDICAL USES THEREOF PYGL, SLC10A1, GYS2 GALR3 3212/4885POLB 3006/4885MAPT 439/4885

“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.