SCHEMBL20643790

SCHEMBL20643790

C=C(Bc1ccc(C)cc1C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TRPA1 O75762 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ AMY1A P0DUB6 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ HTR1A P08908 1/20 0.30

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
SCHEMBL10187272 0.69 TDP1 (0.48) TP53TDP1TRPA1LMNAMAPT
SCHEMBL13366299 0.66 TDP1 (0.44) TP53TDP1TRPA1SMN1; SMN2ALDH1A1
SCHEMBL6547363 0.60 TDP1 (0.48) TP53TDP1TRPA1MAPTSMN1; SMN2
SCHEMBL8756974 0.60 TDP1 (0.48) TP53TDP1TRPA1LMNACHRM1
SCHEMBL29883022 0.60 TDP1 (0.48) TP53TDP1TRPA1MAPTSMN1; SMN2
SCHEMBL3634469 0.59 KDM4E (0.45) TP53TDP1SLC6A2KDM4EALDH1A1
SCHEMBL5716706 0.59 TAS1R3 (0.46) TP53TDP1LMNASMN1; SMN2KDM4E
SCHEMBL10456035 0.59 TP53 (0.41) TP53TDP1KDM4EALDH1A1MEN1
SCHEMBL24771915 0.59 TRPA1 (0.45) TP53TDP1TRPA1LMNACHRM1
SCHEMBL19205698 0.59 TRPA1 (0.50) TP53TDP1TRPA1LMNACHRM1

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-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 — — US disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 — — 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-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TP53 996/4885TDP1 3922/4885TRPA1 4273/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TP53 996/4885TDP1 3922/4885TRPA1 4273/4885

“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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