SCHEMBL14697236

SCHEMBL14697236

[CH2]c1cc(OC)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
ALDH1A1 P00352 1/20 0.40
PTGS1 P23219 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TMPRSS4 Q9NRS4 2/20 0.37
EPHX2 P34913 1/20 0.37
KDM1A O60341 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
P2RX1 P51575 1/20 0.35
DPP4 P27487 2/20 0.34
SRC P12931 2/20 0.34
ZAP70 P43403 2/20 0.34

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
SCHEMBL679095 0.84 ALDH1A1 (0.50) RXRARXRBRXRGALDH1A1PTGS1
SCHEMBL5782136 0.84 ALDH1A1 (0.58) RXRARXRBRXRGALDH1A1PTGS1
SCHEMBL16956418 0.81 CA1 (0.42) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL16952298 0.79 RXRA (0.47) RXRARXRBRXRGALDH1A1L3MBTL1
SCHEMBL12255396 0.77 RXRA (0.43) RXRARXRBRXRGALDH1A1PTGS1
SCHEMBL257565 0.77 RXRA (0.43) RXRARXRBRXRGALDH1A1PTGS1
SCHEMBL30181252 0.77 RXRA (0.43) RXRARXRBRXRGALDH1A1PTGS1
SCHEMBL2522090 0.77 RXRA (0.43) RXRARXRBRXRGALDH1A1PTGS1
SCHEMBL2809096 0.77 ALDH1A1 (0.59) ALDH1A1
SCHEMBL41250 0.77 ALDH1A1 (0.69) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110577563-B Fluorine-containing compound, preparation method thereof and application thereof in preparation of antitumor drugs 山东师范大学 2020-09-04 CN claimed
CN-110577563-A Fluorine-containing compound, preparation method thereof and application thereof in preparation of antitumor drugs 山东师范大学 2019-12-17 CN claimed
US-9745288-B2 Compounds and methods for treating cancer by inhibiting the urokinase receptor INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-08-29 US claimed
US-20150051247-A1 COMPOUNDS AND METHODS FOR TREATING CANCER BY INHIBITING THE UROKINASE RECEPTOR INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2015-02-19 US claimed
WO-2013025939-A2 COMPOUNDS AND METHODS FOR TREATING CANCER BY INHIBITING THE UROKINASE RECEPTOR INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-02-21 WO claimed
CN-117700456-A Arylamine photocatalyst and preparation method thereof, defluorinated mono-bridged ring propeller compound, preparation method and application thereof 国科大杭州高等研究院 2024-03-15 CN disclosed
CN-110577563-B Fluorine-containing compound, preparation method thereof and application thereof in preparation of antitumor drugs 山东师范大学 2020-09-04 CN disclosed
CN-110577563-A Fluorine-containing compound, preparation method thereof and application thereof in preparation of antitumor drugs 山东师范大学 2019-12-17 CN disclosed
US-9745288-B2 Compounds and methods for treating cancer by inhibiting the urokinase receptor INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-08-29 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20150051247-A1 COMPOUNDS AND METHODS FOR TREATING CANCER BY INHIBITING THE UROKINASE RECEPTOR INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2015-02-19 US disclosed
WO-2013025939-A2 COMPOUNDS AND METHODS FOR TREATING CANCER BY INHIBITING THE UROKINASE RECEPTOR INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-02-21 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 (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-20150051247-A1 COMPOUNDS AND METHODS FOR TREATING CANCER BY INHIBITING THE UROKINASE RECEPTOR PLAUR, PLAU, PLG RXRA 1002/4885RXRB 820/4885RXRG 640/4885

“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.