Sugi Predict

Sugi Predict / Compounds / SCHEMBL12101830

SCHEMBL12101830

SCHEMBL12101830

CCc1cc(-c2ccc(Cl)c(F)c2)ccc1C1=C(O)[C@@]2(C)CC[C@H](O2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 8/20 0.41
▸ ACACA Q13085 8/20 0.41
▸ CYP11B1 P15538 4/20 0.33
▸ CYP11B2 P19099 4/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ HSD17B1 P14061 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ FFAR1 O14842 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
SCHEMBL12129245 0.93 ACACB (0.42) ACACBACACACYP11B1CYP11B2PGR
SCHEMBL12101726 0.91 ACACB (0.36) ACACBACACAHSD17B1PGRPDE3B
SCHEMBL12101818 0.91 PGR (0.38) ACACBACACAHSD17B1PGRPTGS1
SCHEMBL13807892 0.90 ACACB (0.32) ACACBACACAHSD17B1
SCHEMBL12101824 0.89 ACACB (0.32) ACACBACACA
SCHEMBL12101676 0.89 ACACB (0.38) ACACBACACAHSD17B1PGRPTGS2
SCHEMBL12101820 0.89 ACACB (0.33) ACACBACACA
SCHEMBL12101785 0.89 ACACB (0.31) ACACBACACA
SCHEMBL12101826 0.88 ACACB (0.33) ACACBACACAPGRPDE3BPDE3A
SCHEMBL13042077 0.88 ACACB (0.34) ACACBACACAHSD17B1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895761-B2 4-phenylpyrane-3,5-diones, 4-phenylthiopyrane-3,5-diones and 2-phenylcyclohexane-1,3,5-triones as herbicides SYNGENTA LIMITED (GB) 2014-11-25 — — US disclosed
US-8895761-B2 4-phenylpyrane-3,5-diones, 4-phenylthiopyrane-3,5-diones and 2-phenylcyclohexane-1,3,5-triones as herbicides SYNGENTA LIMITED (GB) 2014-11-25 — — US disclosed
EP-2222657-B1 PYRANDIONES, THIOPYRANDIONES AND CYCLOHEXANTRIONES HAVING HERBICIDAL PROPERTIES SYNGENTA LTD (GB) 2012-09-12 — — EP disclosed
US-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
US-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
WO-2009074314-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA LIMITED (GB) 2009-06-18 — — 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-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES DDT, HPD, THOP1 ACACB 2172/4885ACACA 2068/4885CYP11B1 586/4885

“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.