SCHEMBL3135046

SCHEMBL3135046

CC(C)(C)c1cccc(Pc2ccc3ccccc3c2-c2c(Pc3cccc(C(C)(C)C)c3C(C)(C)C)ccc3ccccc23)c1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 4/20 0.31
TSHR P16473 4/20 0.31
HSD17B10 Q99714 3/20 0.31
CYP2A6 P11509 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP3A4 P08684 2/20 0.31
HPGD P15428 2/20 0.31
KEAP1 Q14145 1/20 0.31
CA2 P00918 1/20 0.31
HSD11B1 P28845 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
RAB9A P51151 1/20 0.30
CASP7 P55210 1/20 0.30
ATM Q13315 1/20 0.30
HIF1A Q16665 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL30996206 0.80 CA2 (0.44) KIF11ALDH1A1TSHRTDP1CA2
SCHEMBL29585116 0.77 ALDH1A1 (0.44) MAPTALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL1925928 0.77 ALDH1A1 (0.44) MAPTALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL3089174 0.76 GABRA1 (0.43) ALDH1A1TSHRTDP1CA2
SCHEMBL16990195 0.74 CA2 (0.39) KIF11ALDH1A1TSHRTDP1CA2
SCHEMBL27699133 0.73 CA2 (0.38) KIF11ALDH1A1TSHRTDP1CA2
SCHEMBL4124570 0.71 HSD17B10 (0.46) KIF11MAPTALDH1A1TSHRHSD17B10
SCHEMBL1925715 0.71 HSD17B2 (0.39) KIF11MAPTALDH1A1TSHRHSD17B10
SCHEMBL29583541 0.71 HSD17B2 (0.39) KIF11MAPTALDH1A1TSHRHSD17B10
SCHEMBL9624177 0.70 HSD17B10 (0.44) KIF11MAPTALDH1A1TSHRHSD17B10

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-7642357-B2 Iridium complexes TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-01-05 US disclosed
US-20090036696-A1 IRIDIUM COMPLEXES TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-02-05 US disclosed
EP-0478147-A1 Process for producing optically active gamma-butyrolactone derivatives Takasago International Corporation (JP) 1992-04-01 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-20090036696-A1 IRIDIUM COMPLEXES HAX1, MLX, H1-0 KIF11 3305/4885MAPT 4800/4885ALDH1A1 1340/4885

“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.