Sugi Predict

Sugi Predict / Compounds / SCHEMBL2402017

SCHEMBL2402017

SCHEMBL2402017

Clc1cc(Br)ccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.54
▸ CSNK2A1 P68400 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ PTPRC P08575 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL3623575 0.83 CYP2A6 (0.54) CYP2A6CSNK2A1ALDH1A1MAPK1PTGDR2
SCHEMBL22816387 0.83 AHR (0.47) ESR1NPSR1HPGDSMN1; SMN2DHODH
SCHEMBL24840511 0.81 NPC1 (0.47) ALDH1A1MAPK1NPSR1NPC1TP53
SCHEMBL18361943 0.81 S100A4 (0.46) CYP2A6ALDH1A1MAPK1PTPRCESR1
SCHEMBL19190198 0.79 PTPRC (0.56) CYP2A6CSNK2A1ALDH1A1MAPK1PTGDR2
SCHEMBL30006434 0.79 MAPK1 (0.52) CYP2A6CSNK2A1ALDH1A1MAPK1PTGDR2
SCHEMBL364027 0.79 MAPK1 (0.52) CYP2A6CSNK2A1ALDH1A1MAPK1PTGDR2
SCHEMBL21058204 0.79 ESR1 (0.52) ESR1SMN1; SMN2DHODH
SCHEMBL177597 0.79 GABRP (0.42) CSNK2A1NPSR1HPGD
SCHEMBL24307193 0.79 CYP2A6 (0.55) CYP2A6ESR1TP53SMN1; SMN2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12501826-B2 Light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2025-12-16 — — US disclosed
WO-2025110864-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2025-05-30 — — WO disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — US disclosed
US-20240147853-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2024-05-02 — — US disclosed
CN-117447518-B Biphosphine compound and preparation method and application thereof 烟台九目化学股份有限公司 2024-03-22 — — CN disclosed
US-20240065102-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2024-02-22 — — US disclosed
CN-117447518-A Biphosphine compound and preparation method and application thereof 烟台九目化学股份有限公司 2024-01-26 — — CN disclosed
CN-116836136-B Luminescent auxiliary material and preparation method and application thereof 吉林奥来德光电材料股份有限公司 2023-12-01 — — CN disclosed
US-11832457-B2 Nitrogen-containing compound, and organic electroluminescent device and electronic apparatus thereof SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-11-28 — — US disclosed
US-11832457-B2 Nitrogen-containing compound, and organic electroluminescent device and electronic apparatus thereof SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-11-28 — — US disclosed
WO-2012140020-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2012-10-18 — — WO disclosed
WO-2012140020-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2012-10-18 — — WO disclosed
EP-2511275-A1 Novel piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2012-10-17 — — EP disclosed
EP-2511275-A1 Novel piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2012-10-17 — — EP disclosed
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE ADAMS JULIAN 2011-09-22 — — US disclosed
US-4518799-A GRIGNARD REAGENTS AND THEIR PREPARATION THE UPJOHN COMPANY (US) 1985-05-21 — — US disclosed
US-4443631-A DIMETHYLFORMAMIDE OR DIMETHYLACETAMIDE SOLVENT 2-(2-FLUORO-4-BIPHENYLYL)PROPIONIC ACID INTERMEDIATE THE UPJOHN COMPANY (US) 1984-04-17 — — US disclosed
US-4210610-A CHLOROARYLHYDROXY SUBSTITUTED ACETYLENES GULF RESEARCH AND DEVELOPMENT COMPANY (US) 1980-07-01 — — US disclosed
US-3968251-A Arylacetylene compounds as antithrombotic agents ELI LILLY AND COMPANY (US) 1976-07-06 — — US disclosed
US-3939278-A Phenoxyphenyl-acetylenes and thio analogues thereof as antithrombotic agents ELI LILLY AND COMPANY (US) 1976-02-17 — — 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 (5 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-11832457-B2 Nitrogen-containing compound, and organic electroluminescent device and electronic apparatus thereof NUDC, SLC29A2, SLC6A19 CYP2A6 4550/4885CSNK2A1 4516/4885ALDH1A1 3779/4885
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 CYP2A6 217/4885CSNK2A1 2870/4885ALDH1A1 444/4885
US-20240065102-A1 ORGANIC LIGHT EMITTING DEVICE CRY1, CRY2, CYP1A1 CYP2A6 236/4885CSNK2A1 471/4885ALDH1A1 10/4885
US-20240147853-A1 ORGANIC LIGHT EMITTING DEVICE CRY1, CRY2, CYP1A1 CYP2A6 228/4885CSNK2A1 456/4885ALDH1A1 10/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 CYP2A6 4365/4885CSNK2A1 1514/4885ALDH1A1 4472/4885

“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.