SCHEMBL3752963

SCHEMBL3752963

Oc1ccc(C=C(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.54
ESR2 Q92731 5/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
THRB P10828 1/20 0.50
CISD1 Q9NZ45 1/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH5A1 P51649 1/20 0.48
ABAT P80404 1/20 0.48
MAPT P10636 2/20 0.46
APP P05067 1/20 0.46
NQO2 P16083 2/20 0.45
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44

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
SCHEMBL19056940 0.80 TP53 (0.43) ESR1ESR2MEN1KMT2ATHRB
SCHEMBL3753407 0.79 ESR1 (0.50) ESR1ESR2MEN1KMT2ATHRB
SCHEMBL27601792 0.79 ESR1 (0.58) ESR1ESR2MEN1KMT2ATHRB
SCHEMBL3753409 0.79 ESR1 (0.50) ESR1ESR2MEN1KMT2ATHRB
SCHEMBL29043044 0.78 FBP1 (0.47) MEN1KMT2AALDH1A1MAPTPTGS1
SCHEMBL12014958 0.76 ALDH1A1 (0.58) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL17877589 0.76 NFE2L2 (0.46) KDM4EMAPTPTGS1PTGS2CA1
SCHEMBL1054194 0.76 CYP2A6 (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL17288775 0.76 ESR1 (0.41) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL17288995 0.76 ALDH1A1 (0.33) ESR1ESR2MEN1KMT2AALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114436919-B Alpha-difluoro sulfur methyl ketone (alcohol) derivative and synthetic method thereof 华南理工大学 2023-01-06 CN disclosed
CN-114436919-A Alpha-difluoro sulfur methyl ketone (alcohol) derivative and synthetic method thereof 华南理工大学 2022-05-06 CN disclosed
US-8410302-B2 Methoxyimino compounds and fungicide composition comprising same KYUNG NONG CORPORATION (KR) 2013-04-02 US disclosed
US-20100298593-A1 METHOXYIMINO COMPOUNDS AND FUNGICIDE COMPOSITION COMPRISING SAME KYUNG NONG CORPORATION (KR) 2010-11-25 US disclosed
EP-0714899-B1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHINETSU CHEMICAL CO (JP) 2001-04-18 EP disclosed
US-5641430-A Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-06-24 US disclosed
EP-0714899-A1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-05 EP 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 (1 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-20100298593-A1 METHOXYIMINO COMPOUNDS AND FUNGICIDE COMPOSITION COMPRISING SAME CYP51A1, MSMO1, MTMR1 ESR1 1473/4885ESR2 2967/4885MEN1 33/4885

“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.