SCHEMBL19903571

SCHEMBL19903571

N#Cc1c(F)ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
AKR1C1 Q04828 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KIF11 P52732 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTSS P25774 2/20 0.34
CTSK P43235 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
RXRA P19793 2/20 0.33
RXRG P48443 2/20 0.33
RXRB P28702 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32

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
SCHEMBL25658520 0.78 ALOX5AP (0.45) CYP11B1CYP11B2KIF11ALDH1A1MAPT
SCHEMBL20111529 0.78 AR (0.39) KIF11ALDH1A1MAPTALOX5APFEN1
SCHEMBL12679880 0.76 CTSS (0.44) KIF11ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL19903512 0.75 TRPV4 (0.47) CYP11B1CYP11B2KIF11ALDH1A1MAPT
SCHEMBL19072701 0.75 NOS3 (0.38) CYP11B1CYP11B2CTSSALOX5APFEN1
SCHEMBL6989208 0.74 ADORA1 (0.43) ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL19072703 0.73 FEN1 (0.41) KIF11ALDH1A1SMN1; SMN2ALOX5APFEN1
SCHEMBL17711112 0.73 CTSS (0.37) CYP11B1CYP11B2KIF11ALDH1A1MAPT
SCHEMBL25658385 0.72 KIF11 (0.45) KIF11ALDH1A1MAPTGABRA1GABRG2
SCHEMBL19908987 0.71 SQOR (0.43) AKR1C3AKR1C2ALDH1A1MAPTSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
EP-3287450-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-20 EP disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 AKR1C3 645/4885AKR1C2 1769/4885AKR1C1 1641/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 AKR1C3 561/4885AKR1C2 1604/4885AKR1C1 1474/4885

“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.