SCHEMBL16655618

SCHEMBL16655618

Cc1nc2cc(C3OC(C)(C)C(C)(C)O3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ POLB P06746 5/20 0.36
▸ MAPT P10636 5/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ HPGD P15428 4/20 0.36
▸ RAB9A P51151 5/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ STAT1 P42224 1/20 0.33

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
SCHEMBL14384979 0.75 ABL1 (0.31) —
SCHEMBL13122022 0.74 CHRNB2 (0.46) ALDH1A1CHRNB2CHRNA4POLBMAPT
SCHEMBL13122023 0.72 CHRNB2 (0.41) ALDH1A1CHRNB2CHRNA4POLBMAPT
SCHEMBL30286426 0.71 NOS1 (0.45) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL29042384 0.70 AHR (0.42) MAPTRAB9ANPC1GAA
SCHEMBL23010427 0.70 TLR9 (0.54) CHRNB2CHRNA4
SCHEMBL19965243 0.70 LPL (0.40) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL12540 0.69 ALDH1A1 (0.50) ALDH1A1CHRNB2CHRNA4POLBMAPT
SCHEMBL25457211 0.69 RAB9A (0.53) ALDH1A1CHRNB2CHRNA4POLBMAPT
SCHEMBL27824974 0.69 RAB9A (0.40) ALDH1A1CHRNB2CHRNA4POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 — — US disclosed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 — — EP disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 — — WO 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB ALDH1A1 4290/4885CHRNB2 4677/4885CHRNA4 4856/4885

“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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