SCHEMBL20438541

SCHEMBL20438541

C=C(OC(C)C)c1ccc(CC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.46
▸ CYP4A11 Q02928 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CHRM2 P08172 1/20 0.36

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
SCHEMBL13236273 0.78 CYP4F2 (0.71) CYP4F2CYP4A11ALDH1A1SMN1; SMN2CA12
SCHEMBL14220535 0.78 ALDH1A1 (0.50) CYP4F2CYP4A11ALDH1A1SMN1; SMN2PLK1
SCHEMBL5737596 0.76 ALDH1A1 (0.39) CYP4F2CYP4A11ALDH1A1CA12CA1
SCHEMBL14838816 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL7900080 0.75 PDCD1 (0.46) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL24826669 0.74 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2PLK1TDP1TAS1R3
SCHEMBL6546242 0.72 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2PLK1TDP1TAS1R3
SCHEMBL3382154 0.72 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2PLK1TDP1TAS1R3
SCHEMBL10802057 0.71 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1SMN1; SMN2CA12
SCHEMBL27721412 0.70 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CA2PLK1TDP1

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-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 — — 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-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 CYP4F2 367/4885CYP4A11 384/4885ALDH1A1 1061/4885

“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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