Sugi Predict

Sugi Predict / Compounds / SCHEMBL4585312

SCHEMBL4585312

SCHEMBL4585312

CC(C)c1ccc2ccc3ccc(C(C)C)nc3c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 5/20 0.43
▸ CCR5 P51681 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ GMNN O75496 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ MMP8 P22894 1/20 0.31

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
SCHEMBL34465845 0.83 CCR1 (0.61) CCR1CCR5RAB9AKDM4EGMNN
SCHEMBL23456655 0.83 CCR1 (0.32) CCR1CCR5RAB9A
SCHEMBL12886671 0.83 CCR1 (0.61) CCR1CCR5RAB9AKDM4EGMNN
SCHEMBL21498220 0.80 PARP1 (0.44) RAB9AKDM4EHSP90AA1MAPTTSHR
SCHEMBL10199505 0.80 LMNA (0.41) CCR1CCR5KDM4EGMNNLMNA
SCHEMBL2609306 0.80 AR (0.41) CCR1CCR5LMNACYP3A4TSHR
SCHEMBL19979738 0.80 ALDH1A1 (0.42) RAB9AMAPTTSHRHIF1ATDP1
SCHEMBL23406895 0.79 MAPT (0.39) CCR1NOS3NOS1NOS2KDM4E
SCHEMBL22763254 0.79 CCR1 (0.33) CCR1CCR5KDM4EGMNNLMNA
SCHEMBL2609299 0.79 XPO1 (0.42) NOS1LMNAHSP90AA1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192221-A Method for synthesizing bryoid A ring fragment key intermediate and A ring C1-C14 fragment 四川大学 2024-12-27 — — CN claimed
CN-111117136-B Cable material 温州大学 2022-06-07 — — CN claimed
CN-111117136-A Cable material 温州大学 2020-05-08 — — CN claimed
US-12629050-B2 Metabolic and cardiopulmonary monitor LIFELENS TECHNOLOGIES, INC. (US) 2026-05-19 — — US disclosed
CN-119192221-A Method for synthesizing bryoid A ring fragment key intermediate and A ring C1-C14 fragment 四川大学 2024-12-27 — — CN disclosed
US-20240065575-A1 Metabolic and Cardiopulmonary Monitor LIFELENS TECHNOLOGIES, INC. 2024-02-29 — — US disclosed
US-11844606-B2 Metabolic and cardiopulmonary monitor LIFELENS TECHNOLOGIES, LLC (US) 2023-12-19 — — US disclosed
EP-4169924-A2 SYNTHESIS OF HALICHONDRINS President And Fellows Of Harvard College (US) 2023-04-26 — — EP disclosed
US-11548898-B2 Synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-01-10 — — US disclosed
EP-3649135-B1 SYNTHESIS OF HALICHONDRINS HARVARD COLLEGE (US) 2022-12-28 — — EP disclosed
CN-111117136-B Cable material 温州大学 2022-06-07 — — CN disclosed
EP-2773263-A1 METABOLIC AND CARDIOPULMONARY MONITOR Toth, Landy Aaron (US) 2014-09-10 — — EP disclosed
US-20140072517-A1 FE(II) SEQUESTERING AGENTS AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW (US) 2014-03-13 — — US disclosed
WO-2013070545-A1 METABOLIC AND CARDIOPULMONARY MONITOR TOTH LANDY (US) 2013-05-16 — — WO disclosed
WO-2012155085-A1 FE(II) SEQUESTERING AGENTS AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-11-15 — — WO disclosed
US-20080206890-A1 BIS(2,9-DI-TERT-BUTYL-1,10-PHENANTHROLINE)COPPER(I) COMPLEXES, METHODS OF SYNTHESIS, AND USES THEROF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-08-28 — — US disclosed
US-7413818-B2 Light-emitting device CANON KABUSHIKI KAISHA (JP) 2008-08-19 — — US disclosed
US-7413818-B2 Light-emitting device CANON KABUSHIKI KAISHA (JP) 2008-08-19 — — US disclosed
US-7279233-B2 Light-emitting material and light-emitting device CANON KABUSHIKI KAISHA (JP) 2007-10-09 — — US disclosed
US-7279233-B2 Light-emitting material and light-emitting device CANON KABUSHIKI KAISHA (JP) 2007-10-09 — — 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 (4 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-20080206890-A1 BIS(2,9-DI-TERT-BUTYL-1,10-PHENANTHROLINE)COPPER(I) COMPLEXES, METHODS OF SYNTHESIS, AND USES THEROF TTI1, TTI2, TCOF1 CCR1 2095/4885CCR5 3407/4885RAB9A 1064/4885
US-20140072517-A1 FE(II) SEQUESTERING AGENTS AND USES THEREOF SLC40A1, SLC39A14, SLC39A3 CCR1 385/4885CCR5 1437/4885RAB9A 2755/4885
US-12629050-B2 Metabolic and cardiopulmonary monitor PC, PFKP, SLC2A8 CCR1 2126/4885CCR5 3147/4885RAB9A 3453/4885
US-11548898-B2 Synthesis of halichondrins H1-3, NISCH, H1-5 CCR1 2221/4885CCR5 2373/4885RAB9A 4138/4885

“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.