SCHEMBL3176204

SCHEMBL3176204

O[N]C1CCCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 3/20 0.41
SIGMAR1 Q99720 6/20 0.37
KMT2A Q03164 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3185337 1.00
SCHEMBL3179363 1.00
SCHEMBL3022413 0.96
SCHEMBL3177852 0.89
SCHEMBL628135 0.73
SCHEMBL628136 0.73
Nitrous Acid SCHEMBL6751387 0.71 ALDH1A1 (0.42) EPHX1HIF1AALDH1A1SIGMAR1KMT2A
Nitrous Acid SCHEMBL6751384 0.71 ALDH1A1 (0.42) EPHX1HIF1AALDH1A1SIGMAR1KMT2A
Nitrous Acid SCHEMBL1474871 0.71 ALDH1A1 (0.42) EPHX1HIF1AALDH1A1SIGMAR1KMT2A
SCHEMBL215604 0.69 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 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-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 EPHX1 2694/4885HIF1A 2770/4885ALDH1A1 250/4885

“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.