SCHEMBL16146012

SCHEMBL16146012

COC(=O)NCC1CCCCC1CNC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 4/20 0.41
▸ EPHX2 P34913 4/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HTR2C P28335 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 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
SCHEMBL8395344 0.83 EPHX1 (0.53) EPHX1TDP1CA12CA1CA2
SCHEMBL8396779 0.81 EPHX1 (0.57) EPHX1TDP1CA12CA1CA2
SCHEMBL8392780 0.81 EPHX1 (0.57) EPHX1TDP1CA12CA1CA2
SCHEMBL6614441 0.80 EPHX1 (0.54) EPHX1TDP1TSHRKMT2A
Hydrochloric Acid SCHEMBL3668305 0.79 EPHX1 (0.55) EPHX1TDP1CA12CA1CA2
SCHEMBL8393651 0.78 EPHX1 (0.48) EPHX1TDP1CA12CA1CA2
SCHEMBL7904682 0.77 TDP1 (0.54) EPHX1SMN1; SMN2TDP1CA12CA1
SCHEMBL8290413 0.77 — —
SCHEMBL7909626 0.77 PKM (0.36) EPHX1HTR2CMTNR1AMTNR1BSMN1; SMN2
SCHEMBL16145882 0.76 ACHE (0.50) EPHX1

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
US-8927763-B2 Method for preparing aliphatic diisocyanate UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2015-01-06 — — US claimed
US-20140303399-A1 METHOD FOR PREPARING ALIPHATIC DIISOCYANATE UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2014-10-09 — — US claimed
US-8927763-B2 Method for preparing aliphatic diisocyanate UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2015-01-06 — — US disclosed
US-20140303399-A1 METHOD FOR PREPARING ALIPHATIC DIISOCYANATE UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2014-10-09 — — 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 (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-20140303399-A1 METHOD FOR PREPARING ALIPHATIC DIISOCYANATE ALKBH3, DDC, ALKBH5 EPHX1 3411/4885EPHX2 1207/4885NPSR1 4035/4885

“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.

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