SCHEMBL921443

SCHEMBL921443

CCCCc1ccc(Oc2cc[c]cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
THRB P10828 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.40
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SHBG P04278 1/20 0.40

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
SCHEMBL9011773 0.93 ESR1 (0.50) ALDH1A1HSD17B10THRBSMN1; SMN2LMNA
SCHEMBL919861 0.89 THRB (0.43) LTA4HCA2ALDH1A1HSD17B10THRB
SCHEMBL145761 0.88 LTA4H (0.52) LTA4HCA2CA1S1PR1S1PR3
SCHEMBL579944 0.82 SIGMAR1 (0.55) LTA4HS1PR1S1PR3ALDH1A1SMN1; SMN2
SCHEMBL16933886 0.82 RARB (0.55) LTA4HCA2CA1S1PR1S1PR3
SCHEMBL8560021 0.82 HRH3 (0.50) LTA4HALDH1A1HSD17B10LMNAESR1
SCHEMBL475118 0.82 ALDH1A1 (0.57) LTA4HALDH1A1HSD17B10THRBSMN1; SMN2
SCHEMBL17930 0.82 CA2 (0.48) CA2CA1ALDH1A1HPGDHSD17B10
Water SCHEMBL28265892 0.82 CA2 (0.48) CA2CA1ALDH1A1HPGDHSD17B10
SCHEMBL8564624 0.82 LTA4H (0.45) LTA4HCA2CA1S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
EP-0120463-B1 ANTHRAQUINONE DYES AND LIQUID CRYSTAL COMPOSITIONS INCLUDING THE SAME HITACHI, LTD. (JP) 1991-11-06 EP disclosed
EP-0120717-B1 ANTHRAQUINONE DYES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE DYES MITSUBISHI KASEI CORPORATION (JP) 1988-12-07 EP disclosed
US-4610804-A Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1986-09-09 US disclosed
US-4528113-A Anthraquinone dye and liquid crystal composition containing the dye MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1985-07-09 US disclosed
EP-0120717-A2 Anthraquinone dyes and liquid crystal compositions containing the dyes MITSUBISHI KASEI CORPORATION (JP) 1984-10-03 EP disclosed
EP-0120463-A2 Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1984-10-03 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 (2 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 LTA4H 3410/4885CA2 859/4885CA1 1427/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 LTA4H 3981/4885CA2 156/4885CA1 428/4885

“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.