SCHEMBL5170779

SCHEMBL5170779

C[C](C)C(=O)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.67
HSD17B10 Q99714 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.58
EPHX1 P07099 2/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
EPHX2 P34913 1/20 0.58
CDK9 P50750 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
MAPT P10636 3/20 0.57
TAAR1 Q96RJ0 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
TAS2R38 P59533 1/20 0.54
GAA P10253 2/20 0.53
PTPN1 P18031 1/20 0.52
PTPN11 Q06124 1/20 0.52
PKM P14618 2/20 0.52

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
SCHEMBL3415038 0.86 NAPRT (0.67) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
Benzene SCHEMBL28977956 0.85 SMN1; SMN2 (0.70) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
SCHEMBL57554 0.85 SMN1; SMN2 (0.70) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
SCHEMBL219147 0.82 KDM4E (0.66) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
SCHEMBL8526360 0.82 NAPRT (0.61) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
SCHEMBL14379300 0.82 NAPRT (0.61) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
SCHEMBL13324799 0.82 NAPRT (0.61) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
SCHEMBL6859270 0.81 NAPRT (0.60) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
SCHEMBL2358808 0.80 NAPRT (0.59) NAPRTHSD17B10SMN1; SMN2EPHX1TP53
SCHEMBL2322470 0.80 NAPRT (0.59) NAPRTHSD17B10SMN1; SMN2EPHX1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
EP-2697214-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS Bayer Intellectual Property GmbH (DE) 2014-02-19 EP disclosed
WO-2012139891-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER CROPSCIENCE AG (DE) 2012-10-18 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS CBR3, CYP4X1, CBR1 NAPRT 2507/4885HSD17B10 1773/4885SMN1; SMN2 4847/4885

“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.