Sugi Predict

Sugi Predict / Compounds / SCHEMBL172359

SCHEMBL172359

SCHEMBL172359

Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3F)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.47
▸ PDE3A Q14432 3/20 0.47
▸ PTGS2 P35354 5/20 0.44
▸ PTGS1 P23219 2/20 0.43
▸ RPS6KA3 P51812 1/20 0.42
▸ AKR1C3 P42330 3/20 0.41
▸ AKR1C2 P52895 3/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ AKR1B10 O60218 1/20 0.39
▸ AKR1C4 P17516 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ APP P05067 3/20 0.37
▸ CYP3A4 P08684 2/20 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
SCHEMBL13417792 0.93 AKR1C3 (0.43) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL17914331 0.93 AKR1C3 (0.50) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL17192339 0.93 AKR1C3 (0.43) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL20012962 0.89 RPS6KA3 (0.43) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL4567629 0.89 PDE3B (0.48) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL803426 0.89 PDE3B (0.48) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL4567630 0.89 PDE3B (0.50) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL17570165 0.88 AKR1C3 (0.45) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL17359262 0.88 RPS6KA3 (0.46) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL4567632 0.88 PDE3B (0.47) PDE3BPDE3APTGS2PTGS1RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 — — US disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 — — US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 — — US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 — — US disclosed
US-20230313043-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2023-10-05 — — US disclosed
US-11739265-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-08-29 — — US disclosed
US-11739265-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-08-29 — — US disclosed
US-11667840-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 — — US disclosed
US-11667840-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 — — US disclosed
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2023-01-26 — — US disclosed
WO-2010057575-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2010-05-27 — — WO disclosed
US-20100108945-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-05-06 — — US disclosed
EP-2182046-A1 Liquid-crystalline medium and liquid crystal display Merck Patent GmbH (DE) 2010-05-05 — — EP disclosed
US-20090309066-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 — — US disclosed
WO-2009129911-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH, (DE) 2009-10-29 — — WO disclosed
US-7582337-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2009-09-01 — — US disclosed
US-7425355-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-09-16 — — US disclosed
US-20080197319-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2008-08-21 — — US disclosed
WO-2008009417-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2008-01-24 — — WO disclosed
US-7211302-B2 Photostable liquid crystalline medium MERCK PATENT GMBH (DE) 2007-05-01 — — 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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 PDE3B 3262/4885PDE3A 3309/4885PTGS2 4365/4885
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS TRPA1, FOXM1, AFF1 PDE3B 2844/4885PDE3A 2933/4885PTGS2 4612/4885
US-11667840-B2 Liquid-crystalline medium FES, BLM, CXCL12 PDE3B 1688/4885PDE3A 1600/4885PTGS2 3613/4885
US-20090309066-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications VIM, CDH1, LEF1 PDE3B 3216/4885PDE3A 2995/4885PTGS2 3962/4885
US-11739265-B2 Aromatic isothiocyanates TRPA1, CRY1, FOXM1 PDE3B 3060/4885PDE3A 3325/4885PTGS2 4025/4885

“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.