SCHEMBL14200089

SCHEMBL14200089

COc1c(Cl)ccc(Cl)c1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HTR5A P47898 1/20 0.37
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
TAS1R3 Q7RTX0 5/20 0.33
TAS1R1 Q7RTX1 5/20 0.33
MEP1B Q16820 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TAS1R2 Q8TE23 3/20 0.32
NOTUM Q6P988 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 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
SCHEMBL14200084 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10HTR1AHTR1D
SCHEMBL18469728 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10HTR1AHTR1D
SCHEMBL16307979 0.77 NOTUM (0.37) TSHRNOTUMLMNA
SCHEMBL30707945 0.71 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL16019364 0.71 ALOX5AP (0.41) ALDH1A1KDM4EHSD17B10HTR1AHTR1D
SCHEMBL2355429 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10HTR1AHTR1D
SCHEMBL9889139 0.70 NOTUM (0.38) MAPK1NOTUM
SCHEMBL29536407 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10HTR1AHTR1D
SCHEMBL30093412 0.70 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL10263003 0.70 CA2 (0.41) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1

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-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 ALDH1A1 2289/4885KDM4E 4340/4885HSD17B10 347/4885

“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.