SCHEMBL8944101

SCHEMBL8944101

COc1ccc(N(c2ccc(OC)cc2)c2cccc(OC)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.50
HSD17B1 P14061 2/20 0.50
ENPP2 Q13822 1/20 0.50
MTNR1A P48039 6/20 0.49
MTNR1B P49286 6/20 0.49
RELA Q04206 1/20 0.47
ACHE P22303 1/20 0.47
ALOX15 P16050 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
CA4 P22748 1/20 0.44
CA12 O43570 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LTA4H P09960 1/20 0.43
ESR1 P03372 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL13385303 0.96 CA4 (0.52) HSD17B2HSD17B1ENPP2MTNR1AMTNR1B
SCHEMBL14163837 0.96 ACHE (0.50) HSD17B2HSD17B1ENPP2MTNR1AMTNR1B
SCHEMBL8943967 0.92 HSD17B1 (0.55) HSD17B2HSD17B1ENPP2MTNR1AMTNR1B
SCHEMBL8944301 0.92 HSD17B1 (0.51) HSD17B2HSD17B1ENPP2MTNR1AMTNR1B
SCHEMBL10065629 0.92 CA4 (0.50) HSD17B2HSD17B1ENPP2MTNR1AMTNR1B
SCHEMBL10066011 0.92 CA4 (0.50) HSD17B2HSD17B1ENPP2MTNR1AMTNR1B
SCHEMBL8820063 0.92 CA4 (0.50) HSD17B2HSD17B1ENPP2MTNR1AMTNR1B
SCHEMBL8944267 0.92 CA1 (0.48) HSD17B2HSD17B1ENPP2MTNR1AMTNR1B
SCHEMBL20979821 0.92 ACHE (0.54) HSD17B2HSD17B1ENPP2MTNR1AMTNR1B
SCHEMBL31256052 0.92 ACHE (0.54) HSD17B2HSD17B1ENPP2MTNR1AMTNR1B

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-20240352307-A1 ACCESSING AND MODULATING THE COLOR AND VIBRANCY OF ANODICALLY COLORING ELECTROCHROMIC MOLECULES GEORGIA TECH RESEARCH CORPORATION 2024-10-24 US disclosed
US-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 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-20240352307-A1 ACCESSING AND MODULATING THE COLOR AND VIBRANCY OF ANODICALLY COLORING ELECTROCHROMIC MOLECULES VDAC2, VDAC3, RARG HSD17B2 3151/4885HSD17B1 4278/4885ENPP2 4150/4885

“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.