SCHEMBL84428

SCHEMBL84428

CC(C)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
PDE2A O00408 2/20 0.58
NPBWR1 P48145 1/20 0.49
MCHR1 Q99705 1/20 0.49
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 3/20 0.45
SLC6A2 P23975 1/20 0.45
MAPT P10636 1/20 0.42
EPHX2 P34913 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LIPE Q05469 1/20 0.41
KIF11 P52732 1/20 0.41
EPHX1 P07099 1/20 0.41
HSD11B1 P28845 1/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL12591831 0.94 ALDH1A1 (0.59) ALDH1A1PDE2ANPBWR1MCHR1SLC6A4
SCHEMBL22167332 0.94 ALDH1A1 (0.59) ALDH1A1PDE2ANPBWR1MCHR1SLC6A4
SCHEMBL5540836 0.90 ALDH1A1 (0.56) ALDH1A1PDE2ANPBWR1MCHR1SLC6A4
SCHEMBL2056155 0.86 PDE2A (0.58) ALDH1A1PDE2ANPBWR1MCHR1SLC6A4
SCHEMBL13542560 0.86 ALDH1A1 (0.52) ALDH1A1PDE2ANPBWR1MCHR1MAPT
SCHEMBL11951591 0.84 ALDH1A1 (0.50) ALDH1A1PDE2ANPBWR1MCHR1
SCHEMBL3310194 0.83 PDE2A (0.54) ALDH1A1PDE2ANPBWR1MCHR1SLC6A4
SCHEMBL1046493 0.83 PDE2A (0.54) ALDH1A1PDE2ANPBWR1MCHR1SLC6A4
SCHEMBL18291828 0.83 PDE2A (0.54) ALDH1A1PDE2ASLC6A4SLC6A3SLC6A2
SCHEMBL5924733 0.83 PDE2A (0.54) ALDH1A1PDE2ANPBWR1MCHR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12018048-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2024-06-25 US disclosed
WO-2024126117-A1 PYRIMIDINONE DERIVATIVES AS PESTICIDAL COMPOUNDS BASF SE (DE) 2024-06-20 WO disclosed
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2024-01-25 US disclosed
US-11873288-B2 Inhibitors for soluble epoxide hydrolase (sEH) and fatty acid amide hydrolase (FAAH) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-16 US disclosed
US-11873288-B2 Inhibitors for soluble epoxide hydrolase (sEH) and fatty acid amide hydrolase (FAAH) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-16 US disclosed
US-11858880-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-01-02 US disclosed
US-20230374230-A1 CROSSLINKED GEL FORMULATION ESSILOR INTERNATIONAL (FR) 2023-11-23 US disclosed
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 US disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-20070049605-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands WYETH (US) 2007-03-01 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
US-7157492-B2 Dibenzo chromene derivatives and their use as ERβ selective ligands WYETH (US) 2007-01-02 US disclosed
CN-1572763-A Preparation of fluorinated acetophenones BAYER CHEMICALS AG (DE) 2005-02-02 CN 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-12018048-B2 Anthelmintic depsipeptide compounds VIP, DNPEP, DPEP1 ALDH1A1 2924/4885PDE2A 593/4885NPBWR1 96/4885
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors UGDH, PGD, PNPO ALDH1A1 184/4885PDE2A 1028/4885NPBWR1 3494/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 ALDH1A1 289/4885PDE2A 2365/4885NPBWR1 272/4885
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 ALDH1A1 2230/4885PDE2A 2683/4885NPBWR1 4342/4885
US-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS ACE2, ACE, SARS1 ALDH1A1 2946/4885PDE2A 2224/4885NPBWR1 4659/4885
US-20070049605-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands ESR2, ESR1, ESRRA ALDH1A1 2552/4885PDE2A 3804/4885NPBWR1 560/4885
US-11873288-B2 Inhibitors for soluble epoxide hydrolase (sEH) and fatty acid amide hydrolase (FAAH) FAAH, FAAH2, EPHX2 ALDH1A1 261/4885PDE2A 2169/4885NPBWR1 1724/4885
US-11858880-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids ERG28, UGCG, DPM1 ALDH1A1 4460/4885PDE2A 2823/4885NPBWR1 3761/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA ALDH1A1 1055/4885PDE2A 3295/4885NPBWR1 697/4885

“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.