SCHEMBL446623

SCHEMBL446623

Cc1cc(C)cc(-c2ccccc2)c1.OBO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.52
RXRB P28702 2/20 0.52
ALDH1A1 P00352 2/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
IDH1 O75874 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
MAOA P21397 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
ALOX12 P18054 1/20 0.39
ACHE P22303 1/20 0.39
FTO Q9C0B1 1/20 0.39

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
SCHEMBL1830671 0.90 RXRA (0.54) RXRARXRBALDH1A1ADORA2AADORA1
SCHEMBL27471611 0.87 RXRA (0.58) RXRARXRBALDH1A1ADORA2AADORA1
Bicarbonate SCHEMBL27850297 0.86 RXRA (0.63) RXRARXRBALDH1A1IDH1SMN1; SMN2
SCHEMBL24444327 0.85 ALDH1A1 (0.53) RXRARXRBALDH1A1ADORA2AADORA1
SCHEMBL2837502 0.85 ALDH1A1 (0.53) RXRARXRBALDH1A1ADORA2AADORA1
SCHEMBL2932779 0.84 TSHR (0.50) SMN1; SMN2LMNATSHRALOX12ACHE
SCHEMBL14036342 0.83 MAOA (0.52) RXRARXRBALDH1A1ADORA2AADORA1
SCHEMBL27948002 0.83 MAOA (0.52) RXRARXRBALDH1A1ADORA2AADORA1
SCHEMBL29156535 0.82 ALDH1A1 (0.56) ALDH1A1CYP1A2CRHBPCRHR2MAOA
SCHEMBL9083578 0.81 ACHE (0.57) RXRARXRBALDH1A1SMN1; SMN2MAOA

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
EP-2429979-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2012-03-21 EP disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 WO 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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 RXRA 1048/4885RXRB 754/4885ALDH1A1 14/4885

“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.