SCHEMBL3335582

SCHEMBL3335582

O=[N+]([O-])c1ccccc1CC=CF

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
TSHR P16473 1/20 0.55
HPGD P15428 1/20 0.50
ALDH3A1 P30838 1/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 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
SCHEMBL29032830 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHTTL3MBTL1
SCHEMBL28940902 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDALDH3A1HTT
SCHEMBL6158455 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDALDH3A1HTT
SCHEMBL28940904 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDALDH3A1HTT
SCHEMBL10369182 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHTTL3MBTL1
SCHEMBL7528501 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHTTL3MBTL1
SCHEMBL3258912 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHTTL3MBTL1
SCHEMBL10344185 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHTTL3MBTL1
SCHEMBL8390018 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHTTL3MBTL1
SCHEMBL12278852 0.81 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTL3MBTL1

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
EP-2134170-B1 FLUORALKYLPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER IP GMBH (DE) 2015-06-03 EP claimed
US-20100093534-A1 FLUORALKYLPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-15 US claimed
CN-1148338-C Fluorine-containing trifluorostyrene monomer and its synthesis and use 中国科学院上海有机化学研究所 2004-05-05 CN claimed
US-20010033814-A1 Novel solvent for the simultaneous recovery of radionuclides from liquid radioactive wastes ROMANOVSKIY VALERIY NICHOLIAVI (RU) 2001-10-25 US claimed
US-6258333-B1 EXTRACTING REAGENT COMPRISING COMPLEX ORGANOBORON COMPOUNDS, SUBSTITUTED POLYETHYLENE GLYCOLS, AND NEUTRAL ORGANOPHOSPHORUS COMPOUNDS IN DILUENT TO RECOVER CESIUM, STRONTIUM, RARE EARTHS AND ACTINIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY 2001-07-10 US claimed
US-8299301-B2 Fluoralkylphenylamidines and the use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
US-20100093534-A1 FLUORALKYLPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-15 US disclosed
CN-1148338-C Fluorine-containing trifluorostyrene monomer and its synthesis and use 中国科学院上海有机化学研究所 2004-05-05 CN disclosed
US-6468445-B2 EXTRACTION USING MIXTURE OF ORGANOBORON COMPOUND, POLYOXYETHYLENE GLYCOL AND ORGANOPHOSPHORUS COMPOUND THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY 2002-10-22 US disclosed
US-20010033814-A1 Novel solvent for the simultaneous recovery of radionuclides from liquid radioactive wastes ROMANOVSKIY VALERIY NICHOLIAVI (RU) 2001-10-25 US disclosed
US-6258333-B1 EXTRACTING REAGENT COMPRISING COMPLEX ORGANOBORON COMPOUNDS, SUBSTITUTED POLYETHYLENE GLYCOLS, AND NEUTRAL ORGANOPHOSPHORUS COMPOUNDS IN DILUENT TO RECOVER CESIUM, STRONTIUM, RARE EARTHS AND ACTINIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY 2001-07-10 US 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-20100093534-A1 FLUORALKYLPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES PFAS, DDT, PAH ALDH1A1 526/4885TSHR 2892/4885HPGD 3599/4885

“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.