SCHEMBL11904888

SCHEMBL11904888

Cc1cc(C)cc(P(Br)c2cc(C)cc(C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
ACHE P22303 2/20 0.35
TPMT P51580 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
C1S P09871 1/20 0.32
PRSS3 P35030 1/20 0.32
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
RAPGEF4 Q8WZA2 2/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 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
SCHEMBL28897210 0.78 ALDH1A1 (0.40) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL26115 0.73
SCHEMBL341533 0.73 ALDH1A1 (0.67) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL503226 0.72 ALDH1A1 (0.47) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL8013123 0.71 ACHE (0.50) ALDH1A1TSHRACHETDP1
SCHEMBL8373256 0.69 ALDH1A1 (0.44) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL2229713 0.69 ALDH1A1 (0.44) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL23202757 0.69 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL25403949 0.69 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTPRSS1
Hydrochloric Acid SCHEMBL2443762 0.69 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTPRSS1

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-20120214999-A1 METAL COMPLEX, PYRIDYLPHOSPHINE COMPOUND, AND METHOD FOR PRODUCING ALKYL METHACRYLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-23 US disclosed
EP-2487179-A1 METAL COMPLEX, PYRIDYLPHOSPHINE COMPOUND, AND METHOD FOR PRODUCING ALKYL METHACRYLATE Sumitomo Chemical Co., Ltd (JP) 2012-08-15 EP 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-20120214999-A1 METAL COMPLEX, PYRIDYLPHOSPHINE COMPOUND, AND METHOD FOR PRODUCING ALKYL METHACRYLATE AP1M1, MPHOSPH6, MACO1 ALDH1A1 2811/4885TSHR 4468/4885ACHE 974/4885

“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.