Sugi Predict

Sugi Predict / Compounds / SCHEMBL3735918

SCHEMBL3735918

SCHEMBL3735918

O=Cc1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ CYP1A1 P04798 2/20 0.52
▸ CYP1B1 Q16678 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ AMY1A P0DUB6 1/20 0.47
▸ ERBB2 P04626 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ AHR P35869 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP2A6 P11509 5/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL29590945 1.00 ALDH1A1 (0.52) ALDH1A1CYP1A2HPGDHSD17B10CYP1A1
SCHEMBL9797581 0.90 CYP2A6 (0.41) ALDH1A1HSD17B10TSHRAMY1AKDM4E
Pyrene SCHEMBL28101916 0.85 ALDH1A1 (0.58) ALDH1A1CYP1A2HPGDHSD17B10CYP1A1
SCHEMBL28171177 0.83 CYP1A2 (0.42) ALDH1A1CYP1A2HPGDHSD17B10CYP1A1
SCHEMBL15978803 0.81 DRD1 (0.42) ALDH1A1CYP1A2HPGDHSD17B10CYP1A1
Pyrene SCHEMBL9716948 0.81 ALDH1A1 (0.67) ALDH1A1CYP1A2HPGDHSD17B10CYP1A1
SCHEMBL5748718 0.79 CYP2A6 (0.35) ALDH1A1HSD17B10CYP3A4MEN1KMT2A
SCHEMBL5746192 0.77 CYP2A6 (0.34) ALDH1A1HSD17B10AMY1AKDM4ECYP2A6
SCHEMBL12800167 0.77 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10CYP3A4MEN1
SCHEMBL6485876 0.77 PTGER4 (0.40) ALDH1A1MAOACYP2A6UNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777547-A Pyrene ethylene cinnamic acid micro-nano organic carbon hybrid brucite composite powder and preparation method and application thereof 江西广源新材料有限公司 2024-03-29 — — CN claimed
CN-112961098-A Organic fluorescent material containing pyrene unit and having aggregation induced luminescence, and preparation method and application thereof 广东工业大学 2021-06-15 — — CN claimed
US-20190345121-A1 PYRENE-BASED COMPOUNDS FOR INTRACELLULAR ORGANELLE IMAGING APPLICATIONS THE UNIVERSITY OF AKRON 2019-11-14 — — US claimed
CN-117777547-A Pyrene ethylene cinnamic acid micro-nano organic carbon hybrid brucite composite powder and preparation method and application thereof 江西广源新材料有限公司 2024-03-29 — — CN disclosed
CN-117777547-A Pyrene ethylene cinnamic acid micro-nano organic carbon hybrid brucite composite powder and preparation method and application thereof 江西广源新材料有限公司 2024-03-29 — — CN disclosed
CN-112961098-B Organic fluorescent material containing pyrene unit and having aggregation induced luminescence, and preparation method and application thereof 广东工业大学 2023-01-20 — — CN disclosed
CN-106565622-B Novel isoxazoles, process for their preparation and their use 尚科纺织企业工业及贸易公司 2022-02-15 — — CN disclosed
CN-112961098-A Organic fluorescent material containing pyrene unit and having aggregation induced luminescence, and preparation method and application thereof 广东工业大学 2021-06-15 — — CN disclosed
CN-110386926-B Organic photoelectric material containing benzo-heterocycle structure and preparation method and application thereof 武汉尚赛光电科技有限公司 2021-02-09 — — CN disclosed
US-20190345121-A1 PYRENE-BASED COMPOUNDS FOR INTRACELLULAR ORGANELLE IMAGING APPLICATIONS THE UNIVERSITY OF AKRON 2019-11-14 — — US disclosed
CN-110386926-A A kind of organic photoelectrical material and its preparation method and application containing benzheterocycle structure 武汉尚赛光电科技有限公司 2019-10-29 — — CN disclosed
CN-101802045-A Polyurethane and polyurea, and method for producing the same TOYOTA JIDOSHOKKI KK 2010-08-11 — — CN disclosed
WO-2009009790-A1 AIR-STABLE, HIGH HOLE MOBILITY THIENO-THIOPHENE DERIVATIVES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-01-15 — — WO disclosed
WO-2009009790-A1 AIR-STABLE, HIGH HOLE MOBILITY THIENO-THIOPHENE DERIVATIVES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-01-15 — — WO disclosed
CN-1302339-C Photosensitive resin composition CIBA SC HOLDING AG (CH) 2007-02-28 — — CN disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 — — US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 — — EP disclosed
US-20020020832-A1 Photosensitive resin composition CIBA SPECIALTY CHEMICALS CORP. 2002-02-21 — — US disclosed
CN-1305124-A Photosensitive resin composition CIBA SC HOLDING AG (CH) 2001-07-25 — — CN disclosed
US-4676834-A Novel compositions prepared from methyl substituted nitrogen-containing aromatic heterocyclic compounds and an aldehyde or ketone THE DOW CHEMICAL COMPANY (US) 1987-06-30 — — 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-20190345121-A1 PYRENE-BASED COMPOUNDS FOR INTRACELLULAR ORGANELLE IMAGING APPLICATIONS PXMP4, PEX14, PRDX5 ALDH1A1 4675/4885CYP1A2 2670/4885HPGD 1174/4885

“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.