SCHEMBL97453

SCHEMBL97453

[CH2]c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
EPHX2 P34913 1/20 0.47
GPR3 P46089 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KIF11 P52732 2/20 0.40
PDE2A O00408 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
MAOB P27338 1/20 0.39
AOC3 Q16853 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
BLM P54132 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
SCHEMBL2096267 0.93 EPHX2 (0.44) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL2088727 0.93 KIF11 (0.49) MAPTEPHX2KIF11NISCHNOTUM
SCHEMBL254957 0.86 MAPT (0.56) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL1119553 0.80 MAPT (0.31) MAPTEPHX2
SCHEMBL10963722 0.80 ALDH1A1 (0.41) MAPTEPHX2KDM4EALDH1A1TSHR
SCHEMBL16288984 0.80 GPR3 (0.46) MAPTEPHX2GPR3KDM4EKIF11
SCHEMBL514499 0.79 MAPT (0.47) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL1047224 0.78 ALDH1A1 (0.47) MAPTEPHX2L3MBTL1KDM4EKDM1A
SCHEMBL3293415 0.78 ALDH1A1 (0.42) MAPTEPHX2L3MBTL1KDM4EPDE2A
SCHEMBL5540346 0.78 SMN1; SMN2 (0.46) MAPTGPR3KIF11ALDH1A1KMT2A

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 1367 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754569-B Intermediate compound and preparation method and application thereof 四川国为制药有限公司 2024-07-02 CN claimed
CN-113929697-B 1,3, 4-Oxadiazole psoralen derivatives, and preparation method and application thereof 南开大学 2024-05-14 CN claimed
CN-117486780-A 1-benzyl isatin derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2024-02-02 CN claimed
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. 2024-01-04 US claimed
EP-4204400-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION Fibrogen, Inc. (US) 2023-07-05 EP claimed
CN-116348450-A Compounds, compositions and methods for histone lysine demethylase inhibition 菲布罗根有限公司 2023-06-27 CN claimed
EP-4178959-A1 NITROGEN HETEROCYCLIC CYTOKININ DERIVATIVES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2023-05-17 EP claimed
US-11643413-B2 9-(2-oxacycloalkyl)-9H-purine-2,6-diamine derivatives and their use for the treatment of skin disorders UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2023-05-09 US claimed
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US claimed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US claimed
WO-2000077002-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO claimed
US-6153616-A Triazoles as therapeutic agents for fungal infections SYNPHAR LABORATORIES, INC. (CA) 2000-11-28 US claimed
CN-1265672-A Sulphonylated dipeptide Compounds capable of inhibiting leukocyte adhesion mediated by VLA-4 ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN claimed
US-6060453-A Immunomodulatory, anti-inflammatory, and anti-proliferative compounds: 5,6-dideoxy, 5-amino derivatives of idose and 6-deoxy, 6-amino derivatives of glucose GREENWICH PHARMACEUTICALS INCORPORATED (US) 2000-05-09 US claimed
EP-0994896-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP claimed
US-6030978-A EXHIBIT FUNGICIDAL EFFECT OR GROWTH-INHIBITORY EFFECT AGAINST FUNGI INCLUDING CUTANEOUS FILAMENTOUS FUNGUS, SUCH AS EPIDERMOPHYTON, MICROSPORUM, TRICHOPHYTON, SPOROTHRIX SCHENCKII, ASPERGILLUS OR CANDIDA; NONTOXICITY; HANWHA CORPORATION (KR) 2000-02-29 US claimed
US-6008356-A BRBERINE SALT DERIVATIVE IS REACTED WITH SODIUM TETRABORATE AND POTASSIUM CARBONATE IN ALCOHOL SOLVEANT TO FORM INTERMEDIATE, REACTING INTERMEDIATE WITH ALKYL SUBSTITUENT IN ACETONITRILE SOLVENT, OXIDIZING THE FORMED INTERMEDIATE HANWHA CORPORATION (KR) 1999-12-28 US claimed
WO-1999006437-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO claimed
EP-0889881-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES INC. (CA) 1999-01-13 EP claimed
WO-1998031675-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES, INC. (US) 1998-07-23 WO claimed

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-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 MAPT 3102/4885EPHX2 341/4885GPR3 1379/4885
US-11643413-B2 9-(2-oxacycloalkyl)-9H-purine-2,6-diamine derivatives and their use for the treatment of skin disorders ADORA2A, UNG, P2RY6 MAPT 1056/4885EPHX2 807/4885GPR3 2125/4885
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION KDM5C, KDM5B, KDM5A MAPT 1965/4885EPHX2 1430/4885GPR3 4234/4885
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS UNG, TYMP, TYMS MAPT 2662/4885EPHX2 1954/4885GPR3 3544/4885

“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.