SCHEMBL21653972

SCHEMBL21653972

CC(C)(C)/C=C/CSCc1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.42
▸ MAPT P10636 9/20 0.42
▸ TDP1 Q9NUW8 5/20 0.42
▸ POLB P06746 5/20 0.42
▸ TSHR P16473 1/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HPGD P15428 7/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 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
SCHEMBL140950 0.74 TSHR (0.59) ALDH1A1MAPTTDP1POLBTSHR
SCHEMBL29954227 0.74 TSHR (0.49) ALDH1A1MAPTTDP1POLBTSHR
SCHEMBL3940524 0.71 — —
Ammonia Solution, Strong SCHEMBL10914529 0.70 ALDH1A1 (0.50) ALDH1A1MAPTTDP1POLBTSHR
SCHEMBL4434792 0.69 — —
SCHEMBL21654312 0.69 ALDH1A1 (0.50) ALDH1A1MAPTTDP1POLBTSHR
SCHEMBL6130008 0.68 ALDH1A1 (0.57) ALDH1A1MAPTTDP1POLBTSHR
SCHEMBL13778146 0.68 TSHR (0.57) ALDH1A1MAPTTDP1POLBTSHR
SCHEMBL10245401 0.68 ALDH1A1 (0.60) ALDH1A1MAPTTDP1POLBTSHR
SCHEMBL9697427 0.67 — —

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 ALDH1A1 4014/4885MAPT 16/4885TDP1 3073/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 ALDH1A1 4014/4885MAPT 16/4885TDP1 3073/4885

“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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