Sugi Predict

Sugi Predict / Compounds / SCHEMBL3239365

SCHEMBL3239365

SCHEMBL3239365

CCC(C)(C)c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ MAPT P10636 1/20 0.48
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ CYP2A6 P11509 1/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ HRH3 Q9Y5N1 9/20 0.39
▸ MAOB P27338 7/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ SHBG P04278 1/20 0.37

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
SCHEMBL779443 0.87 NPC1 (0.58) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL16823983 0.81 CNR2 (0.42) CYP2A6CNR2ALDH1A1SHBGPOLB
SCHEMBL3688140 0.80 CYP2A6 (0.40) CYP2A6ALDH1A1POLBCYP2C9
SCHEMBL12982919 0.80 ESR1 (0.45) MAPK1CYP2A6ALDH1A1POLBCYP2C9
SCHEMBL25278922 0.79 CYP2A6 (0.44) MAPK1SMN1; SMN2CYP2A6ALDH1A1POLB
SCHEMBL3292125 0.79 NPC1 (0.52) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL3625528 0.79 NPC1 (0.52) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL5552840 0.79 NPC1 (0.52) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL14811236 0.78 CYP2A6 (0.38) NPC1RAB9AMAPK1CYP2A6ALDH1A1
SCHEMBL3045994 0.78 CNR1 (0.42) NPC1RAB9ALMNASMN1; SMN2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240224780-A1 Organic Compound, Light-Emitting Element, and Display Panel SHENZHEN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2024-07-04 — — US disclosed
CN-111936505-B Tertiary alkyl-substituted polycyclic aromatic compounds and uses thereof 学校法人关西学院 2024-07-02 — — CN disclosed
CN-117466938-A Luminescent material, ink composition and display panel 广州华星光电半导体显示技术有限公司 2024-01-30 — — CN disclosed
CN-115304601-A Acridine-containing fused ring derivative and application thereof 北京鼎材科技有限公司 2022-11-08 — — CN disclosed
CN-115304493-A Compound and application thereof 北京鼎材科技有限公司 2022-11-08 — — CN disclosed
US-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-01-21 — — US disclosed
US-10840509-B2 Positive electrode active material, and lithium secondary battery using same TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2020-11-17 — — US disclosed
CN-111936505-A Tertiary alkyl substituted polycyclic aromatic compound 学校法人关西学院 2020-11-13 — — CN disclosed
CN-107546360-B Lithium ion secondary battery 丰田自动车株式会社 2020-05-22 — — CN disclosed
US-10263294-B2 Lithium ion secondary battery TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2019-04-16 — — US disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 — — US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 — — WO disclosed
US-20040121239-A1 Nonaqueous electrolytic solution and lithium secondary batteries UBE INDUSTRIES, LTD. (JP) 2004-06-24 — — US disclosed
CN-1498438-A Nonaqueous electrolyte solution and lithium secondary battery ��˲���ʽ���� 2004-05-19 — — CN disclosed
EP-1361622-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERIES Ube Industries, Ltd. (JP) 2003-11-12 — — EP disclosed
EP-0028493-B1 TRIS(ARYL)ALKYL PHOSPHONIUM COMPOUNDS AND COMPOSITIONS CONTAINING THE SAME M & T CHEMICALS, INC. (US) 1983-02-16 — — EP disclosed
EP-0028493-A1 Tris(aryl)alkyl phosphonium compounds and compositions containing the same M & T CHEMICALS, INC. (US) 1981-05-13 — — EP disclosed
US-4264593-A BACTERICIDES AND NONPHYTOTOXIC FUNGICIDES M&T CHEMICALS, INC. (US) 1981-04-28 — — US disclosed
US-3992536-A SEDATIVES AND MUSCLE RELAXANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-11-16 — — US disclosed
US-3931185-A SEDATIVES, MUSCLE RELAXANT BOEHRINGER INGELHEIM GMBH (DT) 1976-01-06 — — 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 (3 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP NPC1 6/4885RAB9A 3309/4885MAPT 1559/4885
US-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF GART, BROX, APRT NPC1 2993/4885RAB9A 516/4885MAPT 665/4885
US-20240224780-A1 Organic Compound, Light-Emitting Element, and Display Panel NR2E3, NR0B2, C5 NPC1 1659/4885RAB9A 2647/4885MAPT 2804/4885

“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.