SCHEMBL9927173

SCHEMBL9927173

CC(C)C(C)(O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 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
SCHEMBL751715 1.00 ALDH1A1 (0.39) ALDH1A1CYP2C19
SCHEMBL754899 1.00 ALDH1A1 (0.39) ALDH1A1CYP2C19
SCHEMBL2575275 0.78 ALDH1A1 (0.50) ALDH1A1CYP2C19
SCHEMBL20919078 0.78 NR1H2 (0.30) ALDH1A1CYP2C19
SCHEMBL18098188 0.78 ALDH1A1 (0.30) ALDH1A1CYP2C19
SCHEMBL898973 0.76 ALDH1A1 (0.41) ALDH1A1CYP2C19
SCHEMBL6305976 0.76
SCHEMBL12146092 0.75 PDE2A (0.32)
SCHEMBL12364516 0.75
SCHEMBL1372560 0.75 PDE2A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218021-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-07-04 US disclosed
US-20240218021-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-07-04 US disclosed
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF HANGZHOU POLYMED BIOPHARMACEUTICALS, INC. (CN) 2024-06-27 US disclosed
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF HANGZHOU POLYMED BIOPHARMACEUTICALS, INC. (CN) 2024-06-27 US disclosed
WO-2024130341-A1 BENZIMIDAZOLE DERIVATIVES FOR THE MODULATION OF STING Aculeus Therapeutics Pty Ltd (AU) 2024-06-27 WO disclosed
WO-2024112830-A1 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
WO-2024086814-A2 CYCLIN INHIBITORS CIRCLE PHARMA, INC. (US) 2024-04-25 WO disclosed
EP-4289822-A2 BENZOIMIDAZOL-1,2-YL AMIDES AS KV7 CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (US) 2023-12-13 EP disclosed
US-20230373937-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2023-11-23 US disclosed
US-20230348468-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-11-02 US disclosed
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors CELLUMEN INC. 2009-08-20 US disclosed
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors CELLUMEN INC. 2009-08-20 US disclosed
US-20090192158-A1 Methods for Treating or Preventing Neoplasias MERCK FROSST CANADA LTD. (CA) 2009-07-30 US disclosed
US-20090192158-A1 Methods for Treating or Preventing Neoplasias MERCK FROSST CANADA LTD. (CA) 2009-07-30 US disclosed
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2009-03-19 US disclosed
US-7442716-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2008-10-28 US disclosed
US-7442716-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2008-10-28 US disclosed
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-08-28 US disclosed
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2007-09-06 US disclosed
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2007-09-06 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 (9 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-20230348468-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 ALDH1A1 1800/4885CYP2C19 3602/4885
US-20090192158-A1 Methods for Treating or Preventing Neoplasias GSTO1, PTGS1, PTGES ALDH1A1 78/4885CYP2C19 388/4885
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors PTGES, PTGS1, PTGES2 ALDH1A1 158/4885CYP2C19 27/4885
US-20240218021-A1 CYCLIN INHIBITORS CCNI, CCNC, CDK2 ALDH1A1 2597/4885CYP2C19 2043/4885
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 ALDH1A1 165/4885CYP2C19 24/4885
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF IRAK4, FLT3, IRAK2 ALDH1A1 3673/4885CYP2C19 1570/4885
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH ALDH1A1 3086/4885CYP2C19 455/4885
US-20230373937-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY SPNS2, SPCS2, SMN1; SMN2 ALDH1A1 3655/4885CYP2C19 4861/4885
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 ALDH1A1 165/4885CYP2C19 24/4885

“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.