SCHEMBL3497609

SCHEMBL3497609

O=C1C2C3CCC(O3)C2C(=O)N1Cc1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
P2RX7 Q99572 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CXCR4 P61073 1/20 0.42
LMNA P02545 1/20 0.42
CYP2A13 Q16696 1/20 0.42

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
SCHEMBL1189679 0.81 ALDH1A1 (0.59) TSHRHTTMEN1KMT2AL3MBTL1
SCHEMBL14381276 0.81 ALDH1A1 (0.59) TSHRHTTMEN1KMT2AL3MBTL1
SCHEMBL1189677 0.81 ALDH1A1 (0.59) TSHRHTTMEN1KMT2AL3MBTL1
SCHEMBL17532458 0.74 ALDH1A1 (0.46) TSHRHTTMEN1KMT2AL3MBTL1
SCHEMBL17532429 0.69 PPM1B (0.48) TSHRHTTMEN1KMT2AKDM4E
SCHEMBL7559102 0.69 SMN1; SMN2 (0.55) TSHRHTTMEN1POLBKMT2A
SCHEMBL4802311 0.69 PTGS1 (0.61) TSHRHTTMEN1POLBKMT2A
SCHEMBL3415753 0.68 MEN1 (0.56) TSHRHTTMEN1POLBKMT2A
SCHEMBL10339317 0.67 TYR (0.64) TSHRHTTMEN1POLBKMT2A
SCHEMBL3189141 0.67 L3MBTL1 (0.57) HTTMEN1POLBKMT2AKDM4E

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-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2010-06-03 US claimed
EP-2086534-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS Genetic Technologies Limited (AU) 2009-08-12 EP claimed
WO-2008058342-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2008-05-22 WO claimed
US-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2010-06-03 US disclosed
EP-2086534-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS Genetic Technologies Limited (AU) 2009-08-12 EP disclosed
WO-2008058342-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2008-05-22 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-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS PPP1R10, TASP1, PPP5C TSHR 2497/4885HTT 1992/4885MEN1 4270/4885

“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.