SCHEMBL12239283

SCHEMBL12239283

Cc1cc(C)c(C2C(=O)CC(CC3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)C2=O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 1/20 0.43
HTR2B P41595 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MAPT P10636 1/20 0.41
MGLL Q99685 2/20 0.41
HSD11B1 P28845 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41

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
SCHEMBL12239278 0.94 HTT (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL12239284 0.91 KMT2A (0.50) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL12239286 0.89 MGLL (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL12239251 0.89 HTT (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL12239281 0.89 HSD11B1 (0.46) SMN1; SMN2ALDH1A1HTR2BMEN1KMT2A
SCHEMBL12239299 0.87 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL12239328 0.87 HPGD (0.46) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL12239307 0.86 GAA (0.47) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL12239280 0.85 CYP2C9 (0.51) ALDH1A1HTR2BMEN1KMT2APOLB
SCHEMBL12239287 0.85 TSHR (0.48) HPGDTSHRHTR1AHSD11B1

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-9096560-B2 5-heterocyclylalkyl-3-hydroxy-2-phenylcyclopent-2-enones as herbicides SYNGENTA LIMITED (GB) 2015-08-04 US disclosed
US-9096560-B2 5-heterocyclylalkyl-3-hydroxy-2-phenylcyclopent-2-enones as herbicides SYNGENTA LIMITED (GB) 2015-08-04 US disclosed
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS SYNGENTA LIMITED (GB) 2013-02-28 US disclosed
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS SYNGENTA LIMITED (GB) 2013-02-28 US disclosed
US-20110263428-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-10-27 US disclosed
US-20110263428-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-10-27 US disclosed
WO-2010000773-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES SYNGENTA LIMITED (GB) 2010-01-07 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 (2 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-20110263428-A1 5-HETEROCYCLYLALKYL-3-HYDROXY-2-PHENYLCYCLOPENT-2-ENONES AS HERBICIDES DDT, CYP1B1, AHR SMN1; SMN2 3731/4885ALDH1A1 50/4885HTR2B 224/4885
US-20130053385-A1 METHOD OF COMBATING AND CONTROLLING PESTS ACHE, ALG1, KEAP1 SMN1; SMN2 369/4885ALDH1A1 386/4885HTR2B 3986/4885

“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.