SCHEMBL22158641

SCHEMBL22158641

Fc1cccc(F)c1-c1c(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc(C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3ccccc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
TACR1 P25103 6/20 0.36
HDAC4 P56524 1/20 0.33
MAOB P27338 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
KDM1A O60341 1/20 0.32
S1PR5 Q9H228 1/20 0.32
METAP2 P50579 1/20 0.32
PTPN1 P18031 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
SCHEMBL22158628 0.96 KIF11 (0.39) KIF11HDAC4MAOBKDM1AS1PR5
SCHEMBL22158642 0.93 TACR1 (0.36) KIF11TACR1HDAC4MAOBKDM1A
SCHEMBL22156766 0.90 ABCG2 (0.36) KIF11
SCHEMBL22157616 0.89 KIF11 (0.38) KIF11TACR1RXRARXRBMETAP2
SCHEMBL22156794 0.89 CYP11B2 (0.37) KIF11TACR1
SCHEMBL22158632 0.89 KIF11 (0.39) KIF11TACR1HDAC4MAOBKDM1A
SCHEMBL22156795 0.89 CYP11B2 (0.35) KIF11TACR1MAOBKDM1AMETAP2
SCHEMBL22157642 0.89 TGFBR1 (0.37) KIF11TACR1
SCHEMBL22156786 0.86 KIF11 (0.34) KIF11TACR1METAP2
SCHEMBL22157478 0.86 KIF11 (0.37) KIF11TACR1RXRARXRBMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 KIF11 4485/4885TACR1 936/4885HDAC4 4649/4885

“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.