SCHEMBL10257558

SCHEMBL10257558

CCc1cc(C)cc(CC)c1C1=C(O)[C@H]2[C@@H](C1=O)[C@]1(C)CC[C@@]2(C)O1

nearest known ligand 0.30

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
PPARG P37231 1/20 0.30
HTT P42858 1/20 0.30
MAPK10 P53779 1/20 0.30
NCOA2 Q15596 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL10257309 0.85 TSHR (0.32) TSHR
SCHEMBL10257311 0.78 ATM (0.30)
SCHEMBL10257718 0.76
SCHEMBL18873954 0.76 MALT1 (0.32) TSHRALDH1A1HPGD
SCHEMBL10225615 0.76 MALT1 (0.32) TSHRALDH1A1HPGD
SCHEMBL15800414 0.74 GLA (0.31) GLATSHRALOX12
SCHEMBL18874236 0.72 ACACB (0.36)
SCHEMBL13068675 0.72 ACACB (0.36)
SCHEMBL6727294 0.72 ACACB (0.36)
SCHEMBL6727659 0.72 ACACB (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754242-B2 Herbicides SYNGENTA CROP PROTECTION LLC (US) 2014-06-17 US disclosed
US-8754242-B2 Herbicides SYNGENTA CROP PROTECTION LLC (US) 2014-06-17 US disclosed
US-20120094832-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-04-19 US disclosed
US-20120094832-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-04-19 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 (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-20120094832-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 GLA 2842/4885TSHR 1434/4885ALOX12 2508/4885

“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.