SCHEMBL21654153

SCHEMBL21654153

CCCC(C)(C)/C=C/c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ ALOX5 P09917 4/20 0.43
▸ PTGS1 P23219 4/20 0.43
▸ PTGS2 P35354 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ CYP1A1 P04798 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP1B1 Q16678 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 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
SCHEMBL7683267 0.82 KMT2A (0.41) KMT2AALOX5PTGS1PTGS2LMNA
SCHEMBL21654324 0.79 KMT2A (0.49) KMT2AALOX5PTGS1PTGS2LMNA
SCHEMBL13879197 0.77 PTGS1 (0.50) KMT2AALOX5PTGS1PTGS2LMNA
SCHEMBL21654044 0.72 MAPT (0.40) KMT2APTGS1PTGS2LMNAMAPT
SCHEMBL13618771 0.71 HCAR2 (0.48) KMT2AALOX5PTGS1PTGS2LMNA
SCHEMBL11093287 0.71 CYP2C19 (0.46) KMT2ALMNAMAPTHCAR2RAB9A
SCHEMBL28438772 0.70 MAPT (0.45) KMT2AALOX5PTGS1PTGS2LMNA
SCHEMBL5523562 0.70 — —
SCHEMBL22182586 0.70 — —
SCHEMBL256036 0.70 — —

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-10993938-B2 Lactam compound, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-05-04 — — US disclosed
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof OCEAN UNIVERSITY OF CHINA (CN) 2020-01-30 — — 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 (2 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-20200030312-A1 Lactam Compound, Preparation Method and Use thereof FURIN, PEPD, PIN1 KMT2A 3643/4885ALOX5 1874/4885PTGS1 3650/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 KMT2A 3643/4885ALOX5 1874/4885PTGS1 3650/4885

“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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