SCHEMBL4157842

SCHEMBL4157842

COc1ccc(C(Cl)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.65
RELA Q04206 1/20 0.52
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL13940030 1.00 ACHE (0.65) ACHERELACA12CA1CA2
SCHEMBL12730666 0.92 ACHE (0.56) ACHERELACA12CA1CA2
SCHEMBL16321127 0.92 ACHE (0.56) ACHERELACA12CA1CA2
SCHEMBL1975657 0.91 CA1 (0.58) ACHECA12CA1CA2CA7
SCHEMBL11872451 0.87 ACHE (0.65) ACHERELACA12CA1CA2
SCHEMBL21880569 0.84 ESR2 (0.52) ACHECA12CA1CA2CA7
SCHEMBL13939468 0.83 ACHE (0.46) ACHERELAALDH1A1TDP1L3MBTL1
SCHEMBL11588689 0.83 TSHR (0.55) ACHECA1CA2CA7CA9
SCHEMBL11527250 0.83 TSHR (0.55) ACHECA1CA2CA7CA9
SCHEMBL121800 0.83 CA4 (0.54) CA12CA1CA2CA7CA9

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-20090182135-A1 Amino modifiers OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-07-16 US disclosed
US-20090182135-A1 Amino modifiers OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-07-16 US disclosed
US-20090182135-A1 Amino modifiers OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-07-16 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-20090182135-A1 Amino modifiers BCAT2, AADAT, BCAT1 ACHE 1503/4885RELA 1443/4885CA12 1999/4885

“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.