SCHEMBL21654074

SCHEMBL21654074

CCCCCCCC(C)(CCC)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ CNR2 P34972 12/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.38
▸ CNR1 P21554 8/20 0.36
▸ CES2 O00748 1/20 0.34
▸ LPAR1 Q92633 1/20 0.34
▸ LPAR3 Q9UBY5 1/20 0.34

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
SCHEMBL20458052 0.98 ESR1 (0.42) ESR1ESR2CNR2MEN1KMT2A
SCHEMBL19592942 0.82 SMN1; SMN2 (0.41) ESR1ESR2CNR2MEN1KMT2A
SCHEMBL21695082 0.82 CNR2 (0.39) ESR1ESR2CNR2LMNASMN1; SMN2
SCHEMBL20097921 0.81 CNR2 (0.42) ESR1ESR2CNR2CNR1
SCHEMBL22024340 0.81 MEN1 (0.41) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL18494777 0.81 CNR2 (0.58) CNR2CNR1
SCHEMBL22955761 0.81 ESR1 (0.46) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL21549391 0.80 HDAC3 (0.45) ESR1ESR2CNR2LMNACNR1
SCHEMBL21185893 0.80 ESR1 (0.39) ESR1ESR2CNR2LMNASMN1; SMN2
SCHEMBL25622565 0.80 CNR2 (0.35) ESR1ESR2CNR2CNR1

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 ESR1 4118/4885ESR2 4702/4885CNR2 3955/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 ESR1 4118/4885ESR2 4702/4885CNR2 3955/4885

“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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