SCHEMBL3555820

SCHEMBL3555820

C=C(c1ccc2ccccc2c1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
EGFR P00533 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
JAK1 P23458 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
F2 P00734 1/20 0.47

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
SCHEMBL29521906 1.00 CES2 (0.50) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL29056490 0.85 CES2 (0.47) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL18936130 0.78 CES2 (0.57) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL3553076 0.77 CES2 (0.56) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL31749366 0.77 CES2 (0.56) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL28013821 0.76 CES1 (0.39) CES2CES1MAPTTDP1HDAC1
SCHEMBL4307207 0.76 CES1 (0.61) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL5255384 0.76 CES2 (0.50) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL29645049 0.76 CES1 (0.61) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL29723922 0.76 F2 (0.57) CES2CES1KDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114369023-B Synthesis method and application of 2-aryl acrylate 华南理工大学 2023-01-06 CN disclosed
CN-114920753-A 6-fluoro-dihydropyrano [2,3-c ] pyrazole derivative and synthetic method and application thereof 华南理工大学 2022-08-19 CN disclosed
CN-113402477-B Monofluoroolefin modified heteroatom cyclolactone or lactam derivative and synthetic method and application thereof 华南理工大学 2022-06-14 CN disclosed
CN-114369023-A Synthesis method and application of 2-aryl acrylate 华南理工大学 2022-04-19 CN disclosed
CN-113402477-A Monofluoroolefin modified heteroatom cyclolactone or lactam derivative and synthetic method and application thereof 华南理工大学 2021-09-17 CN disclosed
US-7663301-B2 for use as robust red organic phosphors GENERAL ELECTRIC COMPANY (US) 2010-02-16 US disclosed
WO-2006076247-A2 PHOSPHORESCENT FLUORENE, ANTHRACENE AND/OR THIOPHENE SUBSTITUTED METALLO- PORPHYRINS AND RELATED COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2006-07-20 WO disclosed
US-20060152149-A1 Porphyrin compositions GENERAL ELECTRIC COMPANY (US) 2006-07-13 US disclosed
CN-1108659-A Trifluoroisopropenyl zinc reagent and its derivate application SHANGHAI INST ORGANIC CHEM (CN) 1995-09-20 CN disclosed
CN-1027539-C Preparation method of fluorine-containing isopropenyl zinc reagent and derivative thereof SHANGHAI INST ORGANIC CHEM (CN) 1995-02-01 CN disclosed
CN-1051911-A Trifluoroisopropenyl zinc reagent and derivative, preparation and application thereof SHANGHAI ORGANIC CHEMESTRY INS (CN) 1991-06-05 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 (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-20060152149-A1 Porphyrin compositions ACP1, MMS19, MVD CES2 4531/4885CES1 4797/4885KDM4E 2546/4885

“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.