SCHEMBL20466619

SCHEMBL20466619

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc6ccccc6c5)ccc3-4)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.37
▸ ESR2 Q92731 3/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ ACMSD Q8TDX5 1/20 0.35
▸ GSTP1 P09211 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ CHRNB2 P17787 2/20 0.33
▸ CHRNB4 P30926 2/20 0.33
▸ CHRNA3 P32297 2/20 0.33
▸ CHRNA4 P43681 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 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
SCHEMBL10034357 1.00 ESR1 (0.37) ESR1ESR2PDK2HSD17B1HSD17B2
SCHEMBL17243473 0.99 ESR1 (0.36) ESR1ESR2PDK2HSD17B1HSD17B2
SCHEMBL17243470 0.99 ESR1 (0.36) ESR1ESR2PDK2HSD17B1HSD17B2
SCHEMBL24841630 0.97 HSD17B1 (0.37) ESR1ESR2PDK2HSD17B1HSD17B2
SCHEMBL23137670 0.95 PDK2 (0.37) ESR1ESR2PDK2HSD17B1HSD17B2
SCHEMBL24255799 0.95 PDK2 (0.37) ESR1ESR2PDK2HSD17B1HSD17B2
SCHEMBL23180927 0.94 ESR1 (0.35) ESR1ESR2PDK2HSD17B1HSD17B2
SCHEMBL17033063 0.94 ESR1 (0.36) ESR1ESR2PDK2HSD17B1HSD17B2
SCHEMBL23225124 0.93 PDK2 (0.37) ESR1ESR2PDK2HSD17B1HSD17B2
SCHEMBL24841712 0.93 PDK2 (0.36) ESR1ESR2PDK2HSD17B1HSD17B2

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-20180226601-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ILLUMINATION DEVICE, DISPLAY DEVICE, AND MIXED MATERIAL IDEMITSU KOSAN CO., LTD. (JP) 2018-08-09 — — US disclosed
US-20180226601-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ILLUMINATION DEVICE, DISPLAY DEVICE, AND MIXED MATERIAL IDEMITSU KOSAN CO., LTD. (JP) 2018-08-09 — — 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-20180226601-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ILLUMINATION DEVICE, DISPLAY DEVICE, AND MIXED MATERIAL TMEM109, L1CAM, CD99 ESR1 46/4885ESR2 435/4885PDK2 1665/4885

“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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