SCHEMBL3221282

SCHEMBL3221282

C#Cc1[c]cccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 3/20 0.41
CA14 Q9ULX7 2/20 0.41
CA4 P22748 1/20 0.41
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
TSHR P16473 1/20 0.34
ADRA2B P18089 1/20 0.34
PTGS1 P23219 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL1191364 0.80 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL16957462 0.79 ALDH1A1 (0.40) ALDH1A1TDP1KDM4EMAPTHPGD
SCHEMBL16957353 0.79 IRAK4 (0.35) CA1CA2CA7CA9ALDH1A1
SCHEMBL16958162 0.79 KCNH2 (0.31)
SCHEMBL17046276 0.79 EGFR (0.37) TSHRPTGS1LMNACYP3A4MAPT
SCHEMBL406528 0.78 TOP1 (0.36) CA1CA2CA7CA9ALDH1A1
SCHEMBL16952976 0.77 MCHR1 (0.36) ALDH1A1TP53MAPK1KDM4ELMNA
SCHEMBL16961460 0.76 HSD11B1 (0.34)
SCHEMBL16953959 0.76 DRD1 (0.32) ALDH1A1
SCHEMBL6159636 0.76 TSHR (0.38) ALDH1A1TSHRMAPK1LMNAHPGD

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
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-104245689-A Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL CO 2014-12-24 CN disclosed
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 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 (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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 CA1 3618/4885CA2 2193/4885CA7 4065/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX CA1 571/4885CA2 86/4885CA7 167/4885

“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.