SCHEMBL23844841

SCHEMBL23844841

CC(C)C(=O)CCn1cccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL28357612 0.77 ALDH1A1 (0.39) TSHRHPGDHTTALDH1A1KDM4E
SCHEMBL24040223 0.76 CA1 (0.38) TSHRHPGDMEN1KMT2AHTT
SCHEMBL8640926 0.75 EGLN3 (0.62) ALDH1A1
SCHEMBL13101018 0.75 LMNA (0.45) TSHRMEN1KMT2AHTTPOLB
SCHEMBL13296619 0.75 TSHR (0.43) TSHRHPGDMEN1KMT2AHTT
SCHEMBL12414706 0.71 HPGD (0.35) TSHRHPGDMEN1KMT2AHTT
SCHEMBL7225425 0.70 TSHR (0.43) TSHRHPGDMEN1KMT2AHTT
SCHEMBL6333046 0.70 LMNA (0.44) TSHRHPGDMEN1KMT2AHTT
SCHEMBL8045914 0.70 TSHR (0.50) TSHRHPGDMEN1KMT2AHTT
SCHEMBL4465549 0.70 ALDH1A1 (0.41) TSHRHPGDMEN1KMT2AHTT

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-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-23 — — US disclosed
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-09-23 — — 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-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS TLR9, TLR7, TLR8 TSHR 633/4885HPGD 4352/4885MEN1 2060/4885
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors TLR9, TLR7, TLR8 TSHR 628/4885HPGD 4348/4885MEN1 2049/4885

“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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