SCHEMBL22158642

SCHEMBL22158642

Fc1cccc(F)c1-c1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc(C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 6/20 0.36
▸ KIF11 P52732 2/20 0.36
▸ TSPO P30536 1/20 0.35
▸ HDAC4 P56524 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ICMT O60725 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ S1PR5 Q9H228 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
SCHEMBL22158632 0.96 KIF11 (0.39) TACR1KIF11HDAC4MAOBICMT
SCHEMBL22158641 0.93 KIF11 (0.37) TACR1KIF11HDAC4MAOBKDM1A
SCHEMBL22156767 0.90 ABCG2 (0.36) TDP1
SCHEMBL22157617 0.89 KIF11 (0.37) TACR1KIF11TSPOICMTTDP1
SCHEMBL22158662 0.89 CYP11B2 (0.37) TACR1TDP1NR3C1PGR
SCHEMBL22158628 0.89 KIF11 (0.39) KIF11HDAC4MAOBKDM1AS1PR5
SCHEMBL22156788 0.89 TDP1 (0.36) TACR1MAOBTDP1NR3C1PGR
SCHEMBL22157643 0.89 TGFBR1 (0.37) TACR1TDP1
SCHEMBL22156769 0.86 ABCG2 (0.36) TDP1NR3C1PGR
SCHEMBL22157448 0.86 TACR1 (0.36) TACR1KIF11TSPOICMTTDP1

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 TACR1 936/4885KIF11 4485/4885TSPO 499/4885

“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.

Send feedback