SCHEMBL38478

SCHEMBL38478

CCCCCCCCCCCCCNO

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.55
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
THRB P10828 1/20 0.50
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
GBA1 P04062 3/20 0.46
CASP2 P42575 1/20 0.46

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
SCHEMBL1245747 1.00 EPHX1 (0.55) EPHX1TSHRALDH1A1CA1CA2
SCHEMBL1442886 1.00 EPHX1 (0.55) EPHX1TSHRALDH1A1CA1CA2
SCHEMBL1679325 1.00
SCHEMBL7526820 1.00 EPHX1 (0.55) EPHX1TSHRALDH1A1CA1CA2
SCHEMBL11676721 1.00 EPHX1 (0.55) EPHX1TSHRALDH1A1CA1CA2
SCHEMBL1065041 1.00
SCHEMBL39683 1.00 EPHX1 (0.55) EPHX1TSHRALDH1A1CA1CA2
SCHEMBL7031847 1.00 EPHX1 (0.55) EPHX1TSHRALDH1A1CA1CA2
SCHEMBL19812450 1.00 EPHX1 (0.55) EPHX1TSHRALDH1A1CA1CA2
SCHEMBL45417 1.00 EPHX1 (0.55) EPHX1TSHRALDH1A1CA1CA2

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-2584896-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2013-05-01 EP disclosed
US-20130102463-A1 Herbicidal Compositions BASF SE (DE) 2013-04-25 US disclosed
WO-2011161105-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2011-12-29 WO disclosed
CN-1681864-A Thermoplastic polymer compound, thermoplastic polymer composition, antistat and resin composition MITSUI TAKEDA CHEMICALS INC (JP) 2005-10-12 CN 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-20130102463-A1 Herbicidal Compositions PPOX, PAOX, DDT EPHX1 74/4885TSHR 2587/4885ALDH1A1 347/4885

“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.