SCHEMBL19912419

SCHEMBL19912419

Cc1cc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(C#N)cc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.38
XDH P47989 1/20 0.34
TSPO P30536 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KIF11 P52732 1/20 0.31
DHODH Q02127 1/20 0.31
RXRA P19793 1/20 0.31
RXRG P48443 1/20 0.31
NPY5R Q15761 1/20 0.31
TACR1 P25103 1/20 0.30
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 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
SCHEMBL19912433 0.98 AR (0.38) ARXDHTSPOCYP1A2CYP2C9
SCHEMBL19912416 0.98 AR (0.39) ARXDHDHODHRXRARXRG
SCHEMBL19912445 0.96 AR (0.37) ARXDHKIF11NR3C1PGR
SCHEMBL19912429 0.95 AR (0.44) ARXDHPGR
SCHEMBL19912440 0.95 AR (0.36) ARXDHKIF11NR3C1PGR
SCHEMBL19912421 0.94 AR (0.38) ARXDHCYP1A2CYP2C9CYP2C19
SCHEMBL19917912 0.94 AR (0.40) ARXDHTSPOCYP1A2CYP2C9
SCHEMBL19918043 0.93 AR (0.36) ARXDHKIF11RXRANR3C1
SCHEMBL19903493 0.93 TACR1 (0.34) ARXDHTSPOKIF11RXRA
SCHEMBL19913253 0.93 AR (0.34) ARXDHCYP1A2CYP2C9CYP2C19

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 AR 4212/4885XDH 68/4885TSPO 609/4885

“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.