Sugi Predict

Sugi Predict / Compounds / SCHEMBL16385451

SCHEMBL16385451

SCHEMBL16385451

c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3ccc(-c4ccccc4N(c4ccccc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.43
▸ ESR2 Q92731 3/20 0.43
▸ HSD17B1 P14061 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ GSTP1 P09211 1/20 0.40
▸ CYP17A1 P05093 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ ALOX5 P09917 3/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ HDAC4 P56524 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL20313374 0.98 ESR1 (0.44) ESR1ESR2HSD17B1HSD17B2GSTP1
SCHEMBL16385592 0.98 ESR1 (0.44) ESR1ESR2HSD17B1HSD17B2GSTP1
SCHEMBL19089871 0.98 ESR1 (0.44) ESR1ESR2HSD17B1HSD17B2GSTP1
SCHEMBL23179190 0.97 HSD17B1 (0.42) ESR1ESR2HSD17B1HSD17B2GSTP1
SCHEMBL23179125 0.97 HSD17B1 (0.42) ESR1ESR2HSD17B1HSD17B2GSTP1
SCHEMBL23179128 0.97 HSD17B1 (0.42) ESR1ESR2HSD17B1HSD17B2GSTP1
SCHEMBL23179194 0.97 HSD17B1 (0.42) ESR1ESR2HSD17B1HSD17B2GSTP1
SCHEMBL17811609 0.97 ESR1 (0.43) ESR1ESR2HSD17B1HSD17B2GSTP1
SCHEMBL29133823 0.97 ESR1 (0.46) ESR1ESR2HSD17B1HSD17B2GSTP1
SCHEMBL30695831 0.97 ESR1 (0.46) ESR1ESR2HSD17B1HSD17B2GSTP1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3244464-B1 ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2022-02-23 — — EP disclosed
US-11158811-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2021-10-26 — — US disclosed
US-10950797-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2021-03-16 — — US disclosed
US-10892420-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2021-01-12 — — US disclosed
EP-3244463-B1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2020-07-22 — — EP disclosed
US-10593884-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2020-03-17 — — US disclosed
US-20180114916-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2018-04-26 — — US disclosed
US-20180114916-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2018-04-26 — — US disclosed
US-9905775-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2018-02-27 — — US disclosed
US-20180006235-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2018-01-04 — — US disclosed
US-20170117481-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2017-04-27 — — US disclosed
US-20170117481-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2017-04-27 — — US disclosed
WO-2016163276-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 保土谷化学工業株式会社 2016-10-13 — — WO disclosed
WO-2016111254-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 保土谷化学工業株式会社 2016-07-14 — — WO disclosed
WO-2016079944-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 保土谷化学工業株式会社 2016-05-26 — — WO disclosed
EP-3021372-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2016-05-18 — — EP disclosed
US-20160118591-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2016-04-28 — — US disclosed
US-20160118591-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2016-04-28 — — US disclosed
WO-2015198563-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 保土谷化学工業株式会社 2015-12-30 — — WO disclosed
WO-2015004875-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 保土谷化学工業株式会社 (JP) 2015-01-15 — — WO 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 (6 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-10593884-B2 Organic electroluminescent device AHR, SLC18A1, KCNH1 ESR1 62/4885ESR2 130/4885HSD17B1 825/4885
US-20180006235-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, KCNH1 ESR1 62/4885ESR2 130/4885HSD17B1 825/4885
US-20180114916-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, ARNT ESR1 41/4885ESR2 102/4885HSD17B1 952/4885
US-20170117481-A1 ORGANIC ELECTROLUMINESCENT DEVICE KCNN2, KCNN1, SLC7A5 ESR1 119/4885ESR2 229/4885HSD17B1 2033/4885
US-10950797-B2 Organic electroluminescent device SLC29A2, SLC29A1, NUDT1 ESR1 150/4885ESR2 584/4885HSD17B1 3095/4885
US-10892420-B2 Organic electroluminescent device SLC7A5, KCNN2, SLC43A1 ESR1 91/4885ESR2 249/4885HSD17B1 2371/4885

“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.