SCHEMBL23759998

SCHEMBL23759998

CC(C)(C)C(=O)C1C2C=CC(C2)C1C(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ POLB P06746 4/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HBB P68871 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL15503221 0.92 POLB (0.50) ALDH1A1POLBTDP1APEX1SMN1; SMN2
SCHEMBL47606 0.79 FPR3 (0.36) ALDH1A1KDM4E
SCHEMBL47619 0.79 FPR3 (0.36) ALDH1A1KDM4E
SCHEMBL15503178 0.79 POLB (0.68) ALDH1A1POLBTDP1APEX1SMN1; SMN2
SCHEMBL18735712 0.76 ALDH1A1 (0.43) ALDH1A1POLBTDP1APEX1MEN1
SCHEMBL18735634 0.76 ALDH1A1 (0.43) ALDH1A1POLBTDP1APEX1MEN1
SCHEMBL24120969 0.72 TDP1 (0.46) ALDH1A1POLBTDP1APEX1SMN1; SMN2
SCHEMBL13331898 0.72 POLB (0.32) ALDH1A1POLBTDP1HBBHSD17B10
SCHEMBL14495731 0.72 TDP1 (0.46) ALDH1A1POLBTDP1APEX1SMN1; SMN2
SCHEMBL23612575 0.72 TDP1 (0.46) ALDH1A1POLBTDP1APEX1SMN1; SMN2

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-20210371579-A1 VEGETABLE OIL-DERIVED EPOXY COMPOSITIONS HAVING IMPROVED PERFORMANCE WASHINGTON STATE UNIVERSITY 2021-12-02 — — US disclosed
US-20210252159-A1 CONJUGATES OF CARTILAGE-HOMING PEPTIDES FRED HUTCHINSON CANCER CENTER 2021-08-19 — — 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-20210252159-A1 CONJUGATES OF CARTILAGE-HOMING PEPTIDES CD44, MATR3, CCL2 ALDH1A1 2621/4885POLB 4029/4885TDP1 2881/4885

“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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