SCHEMBL4277471

SCHEMBL4277471

Cc1ccc(OCC(C)C)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 5/20 0.52
▸ XDH P47989 3/20 0.49
▸ SLC22A12 Q96S37 1/20 0.49
▸ CSNK2A1 P68400 1/20 0.47
▸ DHODH Q02127 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ GPR55 Q9Y2T6 1/20 0.47
▸ SYK P43405 1/20 0.47
▸ TP53 P04637 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ GAA P10253 1/20 0.42

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
SCHEMBL21939124 0.87 XDH (0.49) ABCB1XDHSLC22A12CSNK2A1DHODH
SCHEMBL16448844 0.86 ABCB1 (0.48) ABCB1CSNK2A1SYKGAA
SCHEMBL4856552 0.84 ALDH1A1 (0.54) ABCB1XDHSLC22A12ALDH1A1MAPT
SCHEMBL28607405 0.84 PTPN11 (0.51) XDHSLC22A12DHODHALDH1A1
SCHEMBL4282168 0.84 FOS (0.50) XDHSLC22A12DHODHALDH1A1TP53
SCHEMBL28820189 0.83 ABCB1 (0.49) ABCB1ALDH1A1MAPTTHRBGPR55
SCHEMBL26724900 0.83 TSHR (0.47) ABCB1CSNK2A1ALDH1A1MAPT
SCHEMBL1641613 0.81 TSHR (0.57) CSNK2A1DHODHMAPT
SCHEMBL6198908 0.81 ALDH1A1 (0.59) XDHSLC22A12DHODHALDH1A1MAPT
SCHEMBL14066214 0.80 PTGDR2 (0.60) CSNK2A1

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
CN-104829756-A Solid catalyst component for olefin polymerization, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 — — CN disclosed
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 — — 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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 ABCB1 942/4885XDH 1365/4885SLC22A12 784/4885

“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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