SCHEMBL6416753

SCHEMBL6416753

C[C]1Cc2cccc(C)c2N1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GAA P10253 4/20 0.38
▸ TLR9 Q9NR96 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ CASP6 P55212 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ AVPR1A P37288 2/20 0.33
▸ ADRA2A P08913 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
SCHEMBL11639278 0.76 HPGD (0.61) HPGDNPC1MAPTRAB9AGAA
SCHEMBL6024750 0.68 HPGD (0.47) HPGDMAPTALDH1A1SMN1; SMN2ALOX12
SCHEMBL19160406 0.68 MGLL (0.38) HPGDNPC1MAPTRAB9AGAA
SCHEMBL24124061 0.68 ALOX12 (0.35) HPGDMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL13875985 0.67 HPGD (0.36) HPGDNPC1MAPTRAB9AGAA
SCHEMBL18905725 0.67 MGLL (0.37) HPGDNPC1MAPTRAB9AGAA
SCHEMBL19798777 0.67 BCHE (0.37) NPC1MAPTRAB9AGAAALDH1A1
SCHEMBL24124131 0.67 DPP4 (0.35) HPGDALDH1A1SMN1; SMN2ALOX12KMT2A
SCHEMBL18905728 0.66 MGLL (0.39) NPC1MAPTRAB9AGAAALDH1A1
SCHEMBL14770543 0.66 ALDH1A1 (0.44) HPGDMAPTRAB9AALDH1A1SMN1; SMN2

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-20050256150-A1 Enantioselective acyl transfer catalysts and their use in kinetic resolution of alcohols and desymmetrization of meso-diols WASHINGTON UNIVERSITY 2005-11-17 — — 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 (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-20050256150-A1 Enantioselective acyl transfer catalysts and their use in kinetic resolution of alcohols and desymmetrization of meso-diols ADH5, DBI, ADH1A HPGD 360/4885NPC1 2846/4885MAPT 3691/4885

“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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