SCHEMBL23844586

SCHEMBL23844586

CCCCCCCC(C)Nc1cc(C(C)(C)C)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.46
▸ STK25 O00506 2/20 0.44
▸ ADRB2 P07550 4/20 0.35
▸ ADH1B P00325 1/20 0.34
▸ ADH1C P00326 1/20 0.34
▸ ADH1A P07327 1/20 0.34
▸ ADH4 P08319 1/20 0.34
▸ ADH7 P40394 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ AURKA O14965 4/20 0.33
▸ FYN P06241 2/20 0.33
▸ YES1 P07947 2/20 0.33
▸ SRC P12931 2/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SPAST Q9UBP0 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ IGF1R P08069 2/20 0.32

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
SCHEMBL21917834 0.65 GPR84 (0.35) HCAR3GPR84
SCHEMBL11520102 0.65 ALDH1A1 (0.56) ADRB2ADH1BADH1CADH1AADH4
SCHEMBL11513573 0.65 ALDH1A1 (0.56) ADRB2ADH1BADH1CADH1AADH4
SCHEMBL22328204 0.65 MAPK14 (0.41) STK25NTRK1SPASTMAPK14IGF1R
SCHEMBL39138 0.65 ALDH1A1 (0.56) ADRB2ADH1BADH1CADH1AADH4
SCHEMBL1417508 0.65 ALDH1A1 (0.56) ADRB2ADH1BADH1CADH1AADH4
SCHEMBL11473790 0.65 ALDH1A1 (0.56) ADRB2ADH1BADH1CADH1AADH4
SCHEMBL8886903 0.64 IDO1 (0.39) ADRB2ADH1BADH1CADH1AADH4
SCHEMBL1123435 0.63 ADH1B (0.42) ADRB2ADH1BADH1CADH1AADH4
SCHEMBL11442419 0.63 ALDH1A1 (0.58) ADRB2ADH1BADH1CADH1AADH4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 HCAR3 289/4885STK25 1206/4885ADRB2 1403/4885

“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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