SCHEMBL1799157

SCHEMBL1799157

CC(C)(C)c1ccc([C]=O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.37
PLA2G1B P04054 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
NR1I2 O75469 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL1798643 0.83 NR1I2 (0.39) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL7705760 0.83 ALDH1A1 (0.41) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL20780709 0.79 AR (0.49) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL6284255 0.78 ALDH1A1 (0.55) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL7672087 0.78 PDE2A (0.35)
SCHEMBL9725123 0.75 ALDH1A1 (0.38) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL11613381 0.75 ALDH1A1 (0.40) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL779415 0.72 ALDH1A1 (0.48) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL29630132 0.72 ALDH1A1 (0.48) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL4871205 0.72 CA2 (0.43) ALDH1A1TDP1HPGDALOX15HSD17B10

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2796455-A1 METHOD FOR PRODUCING SULFONATE Sumitomo Chemical Co., Ltd (JP) 2014-10-29 EP disclosed
CN-104011039-A Process for producing sulfonate SUMITOMO CHEMICAL CO 2014-08-27 CN disclosed
EP-1889826-B1 METHOD FOR PRODUCING A HEXAHYDROFUROFURANOL DERIVATIVE SUMITOMO CHEMICAL CO (JP) 2011-10-26 EP disclosed
US-7951977-B2 Process for producing hexahydrofurofuranol derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-31 US disclosed
US-20090176999-A1 Process for producing hexahydrofurofuranol derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed
EP-1889826-A1 METHOD FOR PRODUCING HEXAHYDROFUROFURANOL DERIVATIVE Sumitomo Chemical Company, Limited (JP) 2008-02-20 EP disclosed
US-5043460-A Discoloration inhibition; color photography FUJI PHOTO FILM CO., LTD. (JP) 1991-08-27 US disclosed
EP-0163314-B1 COLOR PHOTOGRAPHIC MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1991-04-03 EP disclosed
EP-0133503-B1 COLOR PHOTOGRAPHIC LIGHT-SENSITIVE MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1989-10-04 EP disclosed
US-4745050-A Silver halide color photographic material and discoloration inhibitor therefor FUJI PHOTO FILM CO., LTD. (JP) 1988-05-17 US disclosed
US-4696893-A Color photographic material containing certain combinations of cyan and magenta couplers FUJI PHOTO FILM CO., LTD. (JP) 1987-09-29 US disclosed
US-4595650-A Magenta coupler of 5-pyrazolone type FUJI PHOTO FILM CO., LTD. (JP) 1986-06-17 US disclosed
EP-0163314-A2 Color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1985-12-04 EP disclosed
EP-0133503-A2 Color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1985-02-27 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-20090176999-A1 Process for producing hexahydrofurofuranol derivative DHFR, DHPS, CYP4B1 ALDH1A1 349/4885TDP1 3181/4885HPGD 308/4885

“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.