SCHEMBL19912545

SCHEMBL19912545

Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(C)cc(C(F)(F)F)c5)cc(-n5c6ccccc6c6ccc(-c7cc(C)cc(C)c7)cc65)c4C#N)c3c2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
AR P10275 2/20 0.34
PDE9A O76083 1/20 0.33
PDE1C Q14123 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
POLB P06746 1/20 0.31
RXRA P19793 2/20 0.31
RXRG P48443 1/20 0.31
BCAT2 O15382 1/20 0.31
BCAT1 P54687 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
RXRB P28702 1/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL19912556 0.99 KIF11 (0.37) KIF11ARPDE9APDE1CKDM5B
SCHEMBL19917817 0.98 KIF11 (0.36) KIF11ARPDE9APDE1CKDM5B
SCHEMBL19903559 0.98 KIF11 (0.36) KIF11ARPDE9APDE1CKDM5B
SCHEMBL19912540 0.96 AR (0.37) KIF11ARPDE9APDE1CKDM5B
SCHEMBL19912524 0.96 KIF11 (0.35) KIF11ARPDE9APDE1CKDM5B
SCHEMBL19912533 0.95 AR (0.41) KIF11ARPDE9APDE1CKDM5B
SCHEMBL22822283 0.95 RXRA (0.38) KIF11ARPDE9APDE1CKDM5B
SCHEMBL19912544 0.94 KDM5B (0.35) KIF11ARKDM5BPOLBRXRA
SCHEMBL19912546 0.94 AR (0.34) KIF11ARPDE9APDE1CPOLB
SCHEMBL19912373 0.93 KIF11 (0.38) KIF11ARPDE9APDE1CPOLB

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-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 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-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885AR 4212/4885PDE9A 4759/4885

“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.