SCHEMBL4147130

SCHEMBL4147130

N#Cc1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.48
MMP3 P08254 1/20 0.48
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CYP2A6 P11509 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PTGS1 P23219 1/20 0.42
CA1 P00915 1/20 0.41
TSHR P16473 1/20 0.40
CYP11B2 P19099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
NOTUM Q6P988 1/20 0.39
PTPN5 P54829 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
ENPP2 Q13822 1/20 0.38

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
SCHEMBL21077232 0.98 KIF11 (0.47) KIF11MMP3CA12CA2CA9
SCHEMBL17711173 0.89 KIF11 (0.44) KIF11MMP3CA12CA2CA9
SCHEMBL16685448 0.85 KIF11 (0.44) KIF11MMP3CA12CA2CA9
SCHEMBL22148713 0.83 NOTUM (0.43) KIF11MMP3CA12CA2CA9
SCHEMBL3509636 0.82 MMP3 (0.59) KIF11MMP3CA12CA2CA9
SCHEMBL19579181 0.81 KIF11 (0.48) KIF11MMP3CA12CA2CA9
SCHEMBL4159679 0.79 TTR (0.32)
SCHEMBL21429143 0.79 CYP2A6 (0.46) KIF11MMP3CA12CA2CA9
SCHEMBL19917498 0.77 KIF11 (0.50) KIF11MMP3CA12CA2CA9
SCHEMBL14555704 0.77 AR (0.47) KIF11MMP3CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220190257-A1 FUNCTIONAL FILM, METHOD FOR FORMING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2022-06-16 US disclosed
US-20220185824-A1 PI-CONJUGATED COMPOUND, METHOD FOR PRODUCING PI-CONJUGATED COMPOUND, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, LIGHT EMITTING MATERIAL, CHARGE TRANSPORT MATERIAL, LIGHT EMITTING FILM AND ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2022-06-16 US disclosed
WO-2020189330-A1 FUNCTIONAL FILM, METHOD FOR FORMING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT コニカミノルタ株式会社 2020-09-24 WO disclosed
WO-2020189283-A1 CHARGE-TRANSPORTING COMPOUND AND MANUFACTURING METHOD THEREOF, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ETC. コニカミノルタ株式会社 2020-09-24 WO disclosed
WO-2020189117-A1 π-CONJUGATED COMPOUND, METHOD FOR PRODUCING π-CONJUGATED COMPOUND, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, LIGHT EMITTING MATERIAL, CHARGE TRANSPORT MATERIAL, LUMINESCENT THIN FILM AND ORGANIC ELECTROLUMINESCENT ELEMENT コニカミノルタ株式会社 2020-09-24 WO disclosed
US-20200161562-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-05-21 US disclosed
EP-3653606-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE Samsung Display Co., Ltd. (KR) 2020-05-20 EP disclosed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 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 (4 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-20220190257-A1 FUNCTIONAL FILM, METHOD FOR FORMING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT KCNQ2, KCNQ1, KCNQ4 KIF11 1409/4885MMP3 4707/4885CA12 4211/4885
US-20200161562-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE EML4, CELF2, L1CAM KIF11 2506/4885MMP3 4070/4885CA12 2564/4885
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION AOC2, AOC3, DBH KIF11 1251/4885MMP3 1493/4885CA12 125/4885
US-20220185824-A1 PI-CONJUGATED COMPOUND, METHOD FOR PRODUCING PI-CONJUGATED COMPOUND, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, LIGHT EMITTING MATERIAL, CHARGE TRANSPORT MATERIAL, LIGHT EMITTING FILM AND ORGANIC ELECTROLUMINESCENT ELEMENT NAP1L1, XPO6, INTS6 KIF11 1647/4885MMP3 3812/4885CA12 2445/4885

“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.