SCHEMBL15052402

SCHEMBL15052402

CCCCCCCCCCCCc1csc(-c2ccc(-c3cc(CCCCCCCCCCCC)cs3)c3nc(CCCCCCCC)c(CCCCCCCC)nc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RARB P10826 1/20 0.35
▸ PTGS2 P35354 3/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ TACR2 P21452 2/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SHBG P04278 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HSPD1 P10809 1/20 0.35
▸ ADRB3 P13945 1/20 0.35

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
SCHEMBL27861554 0.87 KCNH2 (0.36) GPR3TDP1L3MBTL1KCNH2
SCHEMBL12715532 0.85 ADK (0.39) GPR3KDM4EALDH1A1ADORA2A
SCHEMBL14948591 0.84 GPR3 (0.37) GPR3TDP1L3MBTL1RARBPTGS2
SCHEMBL852605 0.84 GPR3 (0.37) GPR3TDP1L3MBTL1RARBPTGS2
SCHEMBL2608123 0.84 GPR3 (0.37) GPR3TDP1L3MBTL1RARBPTGS2
SCHEMBL12131325 0.84 GPR84 (0.46) GPR3RARBALDH1A1GPR84
SCHEMBL15072108 0.84 GPR84 (0.46) GPR3RARBALDH1A1GPR84
SCHEMBL15871311 0.83 PTGS2 (0.35) TDP1L3MBTL1PTGS2KDM4EALDH1A1
SCHEMBL23269801 0.80 GPR3 (0.34) GPR3RARBPTGS2ESR1ADRA2A
SCHEMBL12587649 0.80 GPR3 (0.34) GPR3RARBPTGS2ESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615095-B1 BENZODITHIOPHENE ORGANIC SEMICONDUCTIVE MATERIAL, PREPARATION METHOD AND USE THEREOF OCEANS KING LIGHTING SCIENCE (CN) 2015-11-04 — — EP disclosed
EP-2615095-B1 BENZODITHIOPHENE ORGANIC SEMICONDUCTIVE MATERIAL, PREPARATION METHOD AND USE THEREOF OCEANS KING LIGHTING SCIENCE (CN) 2015-11-04 — — EP disclosed
CN-103080114-B Benzene azole dithiophene organic semiconductor material and preparation method and application thereof OCEANS KING LIGHTING SCIENCE 2015-05-06 — — CN disclosed
US-8557987-B2 Benzodithiophene organic semiconductive material and its preparation method and use OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-10-15 — — US disclosed
US-8557987-B2 Benzodithiophene organic semiconductive material and its preparation method and use OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-10-15 — — US disclosed
EP-2615095-A1 BENZODITHIOPHENE ORGANIC SEMICONDUCTIVE MATERIAL, PREPARATION METHOD AND USE THEREOF Ocean's King Lighting Science&Technology Co., Ltd. (CN) 2013-07-17 — — EP disclosed
EP-2615095-A1 BENZODITHIOPHENE ORGANIC SEMICONDUCTIVE MATERIAL, PREPARATION METHOD AND USE THEREOF Ocean's King Lighting Science&Technology Co., Ltd. (CN) 2013-07-17 — — EP disclosed
US-20130165655-A1 BENZODITHIOPHENE ORGANIC SEMICONDUCTIVE MATERIAL AND ITS PREPARATION METHOD AND USE OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-06-27 — — US disclosed
US-20130165655-A1 BENZODITHIOPHENE ORGANIC SEMICONDUCTIVE MATERIAL AND ITS PREPARATION METHOD AND USE OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-06-27 — — US disclosed
CN-103080114-A Benzodithiophene organic semiconductor material, and preparation method and application thereof OCEANS KING LIGHTING SCIENCE 2013-05-01 — — CN 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-20130165655-A1 BENZODITHIOPHENE ORGANIC SEMICONDUCTIVE MATERIAL AND ITS PREPARATION METHOD AND USE CCNT1, CCNE2, SULT1A1 GPR3 3141/4885TDP1 3169/4885L3MBTL1 2188/4885

“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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