SCHEMBL16952993

SCHEMBL16952993

CCc1c[c]cc(OCCCl)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL16962656 0.86 ALDH1A1 (0.33) ALDH1A1CHRNB2CHRNA4
SCHEMBL17046417 0.85 CA12 (0.38) ALDH1A1KDM4ESMN1; SMN2MAPK1L3MBTL1
SCHEMBL16961925 0.83 CA12 (0.41) ALDH1A1SMN1; SMN2L3MBTL1TSHRLMNA
SCHEMBL16952984 0.83 FUT7 (0.38) ALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL16957590 0.82
SCHEMBL17046275 0.81 NR1I2 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPK1L3MBTL1
SCHEMBL21268328 0.81
SCHEMBL16952562 0.81 NQO1 (0.39) ALDH1A1KDM4ESMN1; SMN2MAPK1L3MBTL1
SCHEMBL17046298 0.81 LTA4H (0.36) ALDH1A1L3MBTL1MAPT
SCHEMBL16960037 0.81

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 4 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

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-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX ALDH1A1 1019/4885KDM4E 2719/4885SMN1; SMN2 4143/4885

“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.