SCHEMBL5612959

SCHEMBL5612959

C=CCc1cc(C(C)C)c(N=C2C(=Nc3c(C(C)C)cc(CC=C)cc3C(C)C)c3cccc4cccc2c34)c(C(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 2/20 0.32
KCNN3 Q9UGI6 2/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 2/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
MAPK1 P28482 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30

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
SCHEMBL5612956 1.00 KCNN2 (0.32) KCNN2KCNN3ADRB2ADRB1ADRB3
SCHEMBL12304878 0.82 ALDH1A1 (0.33) ADRB2ADRB1ADRB3ALDH1A1PPARG
SCHEMBL5138932 0.78 ALDH1A1 (0.40) KCNN2KCNN3ALDH1A1MAPK1LMNA
SCHEMBL987735 0.78 ALDH1A1 (0.40) KCNN2KCNN3ALDH1A1MAPK1LMNA
SCHEMBL987736 0.78 ALDH1A1 (0.40) KCNN2KCNN3ALDH1A1MAPK1LMNA
SCHEMBL12923294 0.78 ALDH1A1 (0.40) KCNN2KCNN3ALDH1A1MAPK1LMNA
SCHEMBL5587463 0.77 ALDH1A1 (0.39) KCNN2KCNN3ALDH1A1MAPK1LMNA
SCHEMBL12948949 0.76 KCNN2 (0.33) KCNN2KCNN3ALDH1A1MAPK1TSHR
Hydrochloric Acid SCHEMBL8670038 0.75 ALDH1A1 (0.38) KCNN2KCNN3ALDH1A1MAPK1LMNA
Bromide SCHEMBL8670022 0.75 ALDH1A1 (0.38) KCNN2KCNN3ALDH1A1MAPK1LMNA

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-7176158-B2 Polymerization catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-02-13 US disclosed
US-20040147771-A1 Polymerization catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. 2004-07-29 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-20040147771-A1 Polymerization catalyst composition POLN, ACE2, ACE KCNN2 2150/4885KCNN3 2686/4885ADRB2 1771/4885

“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.