SCHEMBL21654044

SCHEMBL21654044

CCCC(C)(C)/C=C/c1ccc(C)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ KMT2A Q03164 7/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TNFRSF1A P19438 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.35

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
SCHEMBL21654043 0.77 MAPT (0.48) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL21654153 0.72 KMT2A (0.46) MAPTRAB9ANPC1SMN1; SMN2PTGS1
SCHEMBL13226178 0.72 MAPT (0.61) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL12307008 0.72 MAPT (0.61) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL24800469 0.71 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL19347351 0.71 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL14433026 0.70 PTGS1 (0.59) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL16844620 0.70 MAPT (0.48) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL13969499 0.70 MAPT (0.48) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL13872440 0.69 MAPT (0.52) MAPTRAB9ANPC1SMN1; SMN2CASP3

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 MAPT 16/4885RAB9A 1387/4885NPC1 810/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 MAPT 16/4885RAB9A 1387/4885NPC1 810/4885

“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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