SCHEMBL824939

SCHEMBL824939

COC(=O)CCC(F)(F)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.47
LMNA P02545 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
AKT1 P31749 1/20 0.44
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ESRRB O95718 1/20 0.42
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
MITF O75030 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
SCHEMBL14002768 0.84 CYP2C19 (0.53) KCNN4LMNAALDH1A1KDM4EAKT1
SCHEMBL6341499 0.83 KCNN4 (0.44) KCNN4LMNAALDH1A1KDM4EAKT1
SCHEMBL2008935 0.83 SMN1; SMN2 (0.55) LMNAALDH1A1KMT2AHSD17B10POLB
SCHEMBL19766890 0.82 SMN1; SMN2 (0.47) KCNN4LMNAALDH1A1KDM4EAKT1
SCHEMBL8698880 0.82 ALDH1A1 (0.50) KCNN4LMNAALDH1A1KDM4EAKT1
SCHEMBL4679670 0.82 CNR1 (0.52) KCNN4LMNAALDH1A1KDM4EAKT1
SCHEMBL27447004 0.80 KCNN4 (0.50) KCNN4LMNAALDH1A1KDM4EAKT1
SCHEMBL13232139 0.79 ALDH1A1 (0.48) KCNN4LMNAALDH1A1MAPTKMT2A
SCHEMBL24451337 0.79 KCNN4 (0.49) KCNN4LMNAALDH1A1KDM4EAKT1
Trifluoromethylbenzene SCHEMBL27846765 0.79 L3MBTL1 (0.47) KCNN4LMNAALDH1A1KDM4EAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230099421-A1 A NEW METHOD OF 18F LABELLING AND INTERMEDIATE SALTS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-03-30 US disclosed
EP-3925945-A1 METHOD FOR PRODUCING FLUORINATED COMPOUND Daikin Industries, Ltd. (JP) 2021-12-22 EP disclosed
EP-3428145-B1 METHOD FOR PRODUCING FLUORINATED COMPOUND DAIKIN IND LTD (JP) 2021-09-08 EP disclosed
US-20190071376-A1 METHOD FOR PRODUCING FLUORINATED COMPOUND DAIKIN INDUSTRIES, LTD. (JP) 2019-03-07 US disclosed
EP-3428145-A1 METHOD FOR PRODUCING FLUORINATED COMPOUND Daikin Industries, Ltd. (JP) 2019-01-16 EP disclosed
US-8143425-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-8143425-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
WO-2007111994-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2007-10-04 WO 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 (2 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-20230099421-A1 A NEW METHOD OF 18F LABELLING AND INTERMEDIATE SALTS NPY1R, TMEM14C, SLCO1B1 KCNN4 403/4885LMNA 2971/4885ALDH1A1 1086/4885
US-20190071376-A1 METHOD FOR PRODUCING FLUORINATED COMPOUND RXFP2, BLVRB, AFF2 KCNN4 3708/4885LMNA 2267/4885ALDH1A1 1416/4885

“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.