SCHEMBL20221726

SCHEMBL20221726

COc1ccc(CCC(=O)CCCCCCOC(=O)CCCCl)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2RL1 P55085 1/20 0.52
▸ KMT2A Q03164 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ FFAR1 O14842 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NAAA Q02083 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
SCHEMBL20610767 0.87 F2RL1 (0.68) F2RL1KMT2AATMFFAR1POLB
SCHEMBL20221725 0.86 F2RL1 (0.54) F2RL1KMT2AMAPTLMNAL3MBTL1
SCHEMBL27622137 0.79 P2RY10 (0.54) F2RL1MAPTLMNAL3MBTL1POLB
SCHEMBL31329309 0.78 DGKA (0.54) ALOX5NAAA
SCHEMBL8867697 0.78 ALOX5 (0.54) F2RL1KMT2AMAPTLMNAL3MBTL1
SCHEMBL20610758 0.78 F2RL1 (0.62) F2RL1MAPTLMNAL3MBTL1FFAR1
SCHEMBL10687182 0.77 FFAR1 (0.50) F2RL1KMT2AMAPTL3MBTL1FFAR1
SCHEMBL9664592 0.77 F2RL1 (0.66) F2RL1FFAR1POLBALDH1A1ALOX5
SCHEMBL8585437 0.77 F2RL1 (0.66) F2RL1POLBALOX5CYP1A2CYP3A4
SCHEMBL7329940 0.77 F2RL1 (0.85) F2RL1FFAR1POLBALDH1A1ALOX5

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-20180155361-A1 PALLADIUM-MEDIATED KETOLIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-06-07 — — 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-20180155361-A1 PALLADIUM-MEDIATED KETOLIZATION ERLIN1, ERLIN2, PDK1 F2RL1 3667/4885KMT2A 1493/4885ATM 3811/4885

“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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