SCHEMBL3734845

SCHEMBL3734845

Cc1cc(-c2ccc(Cl)cc2)ccc1C1C(=O)[C@@H]2CC[C@@](C)(O2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.34
ACACA Q13085 4/20 0.34
PGR P06401 2/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NOTUM Q6P988 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP2 O95551 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
SCHEMBL3734842 1.00 ACACB (0.34) ACACBACACAPGRHDAC1HDAC2
SCHEMBL3018651 0.91 ACACB (0.36) ACACBACACAPGRHDAC1HDAC2
SCHEMBL3018648 0.91 ACACB (0.36) ACACBACACAPGRHDAC1HDAC2
SCHEMBL3712255 0.86 TAAR1 (0.35) PGRHDAC1HDAC2TAAR1
SCHEMBL3712253 0.86 TAAR1 (0.35) PGRHDAC1HDAC2TAAR1
SCHEMBL3032825 0.84 PGR (0.32) PGRHDAC1HDAC2TAAR1
SCHEMBL3032828 0.84 PGR (0.32) PGRHDAC1HDAC2TAAR1
SCHEMBL3664053 0.79 CACNB4 (0.31) PGRHDAC1HDAC2
SCHEMBL3664051 0.79 CACNB4 (0.31) PGRHDAC1HDAC2
SCHEMBL3717798 0.77 BRD4 (0.32)

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
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

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 2068/4885PGR 1062/4885

“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.