SCHEMBL13347322

SCHEMBL13347322

CC(C)C(=O)OCOP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ CETP P11597 3/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ FOLH1 Q04609 1/20 0.44
▸ ELANE P08246 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PRTN3 P24158 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL19509038 0.87 TSHR (0.47) TSHRCETPALDH1A1FOLH1ELANE
SCHEMBL19509036 0.84 ALDH1A1 (0.61) TSHRCETPALDH1A1FOLH1ELANE
SCHEMBL25234220 0.84 TSHR (0.45) TSHRCETPALDH1A1FOLH1ELANE
SCHEMBL3804138 0.84 TSHR (0.55) TSHRCETPALDH1A1FOLH1ELANE
SCHEMBL3804139 0.84 TSHR (0.59) TSHRCETPALDH1A1FOLH1ELANE
SCHEMBL21189480 0.81 TSHR (0.51) TSHRCETPALDH1A1FOLH1ELANE
SCHEMBL3072372 0.81 ALDH1A1 (0.61) TSHRCETPALDH1A1FOLH1ELANE
SCHEMBL21189481 0.81 ALDH1A1 (0.49) TSHRCETPALDH1A1FOLH1LMNA
SCHEMBL16368191 0.81 CETP (0.48) TSHRCETPALDH1A1FOLH1LMNA
SCHEMBL10378803 0.81 ALDH1A1 (0.49) TSHRCETPALDH1A1FOLH1LMNA

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-20100120727-A1 Eflornithine Prodrugs, Conjugates and Salts, and Methods of Use Thereof KYPHIA PHARMACEUTICALS, INC. (US) 2010-05-13 — — 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-20100120727-A1 Eflornithine Prodrugs, Conjugates and Salts, and Methods of Use Thereof ESD, PTGER1, EFNA1 TSHR 4690/4885CETP 2682/4885ALDH1A1 79/4885

“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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