SCHEMBL922844

SCHEMBL922844

Cc1ccc(C)c(Oc2cc[c]cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TTR P02766 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C8 P10632 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA1A P35348 1/20 0.36
PPARG P37231 1/20 0.36
HTR2B P41595 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL920577 0.85 GAA (0.41) GAAACHESMN1; SMN2SLC6A4AR
SCHEMBL822665 0.80 TSHR (0.50) TSHRKMT2ATDP1GAACYP2C9
SCHEMBL30695769 0.80 TSHR (0.50) TSHRKMT2ATDP1GAACYP2C9
SCHEMBL2096609 0.80 HTR2A (0.35) HTTSLC6A4ALDH1A1AR
SCHEMBL2750659 0.79 TSHR (0.38) TSHRKMT2ATDP1GAACYP2C9
SCHEMBL7149236 0.79 HTT (0.40) CYP2C9HTTACHESLC6A2SLC6A4
SCHEMBL3278966 0.79 ACHE (0.50) TSHRKMT2ATDP1GAACYP2C9
SCHEMBL5608759 0.78 GAA (0.55) KMT2ATDP1GAALMNAHTT
SCHEMBL2264034 0.78 TSHR (0.39) TSHRKMT2ATDP1GAACYP2C9
SCHEMBL9487542 0.78 ALDH1A1 (0.47) TSHRKMT2ATDP1GAACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
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
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 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 (4 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 TSHR 4024/4885KMT2A 702/4885TDP1 1525/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 TSHR 2588/4885KMT2A 2469/4885TDP1 4034/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 TSHR 3106/4885KMT2A 388/4885TDP1 3313/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 TSHR 2777/4885KMT2A 1924/4885TDP1 3862/4885

“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.