SCHEMBL17996705

SCHEMBL17996705

Cc1cc(C2CCCC(=O)C2)c(C)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ TSHR P16473 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ CYP2C19 P33261 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ RAB9A P51151 2/20 0.31

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
SCHEMBL12972960 0.77 ALDH1A1 (0.44) MAPTALDH1A1HPGDHSD17B10MEN1
SCHEMBL28601806 0.75 MAPT (0.39) MAPTALDH1A1HPGDSMN1; SMN2PDE4A
SCHEMBL28601838 0.72 MAPT (0.41) MAPTALDH1A1HPGDHSD17B10MEN1
SCHEMBL28608577 0.70 HTR2C (0.47) MAPTALDH1A1HPGDHSD17B10IKBKB
SCHEMBL28591514 0.69 MAPT (0.39) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL28587440 0.69 MAPT (0.39) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL26268292 0.69 MAPT (0.39) MAPTIKBKBPDE4APDE4BPDE4C
SCHEMBL14529987 0.68 MAPT (0.44) MAPTALDH1A1SMN1; SMN2PDE4APDE4B
SCHEMBL26268797 0.66 IKBKB (0.42) MAPTALDH1A1HPGDIKBKBPDE10A
SCHEMBL714856 0.66 ESR2 (0.50) MAPTALDH1A1HPGDSMN1; SMN2PDE4A

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-20160229778-A1 DIRECT B-ARYLATION OF CARBONYL COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-08-11 — — 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-20160229778-A1 DIRECT B-ARYLATION OF CARBONYL COMPOUNDS DBH, DDT, CBR3 MAPT 4423/4885ALDH1A1 985/4885HPGD 3362/4885

“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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