SCHEMBL21395961

SCHEMBL21395961

CC1(C)c2cc(-c3ccc(C#N)cc3)ccc2-c2ccc(-c3ccc(-c4cc5cccnc5c5ncccc45)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.40
CCR8 P51685 2/20 0.40
FABP1 P07148 1/20 0.40
PDK2 Q15119 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
PGR P06401 1/20 0.37
PARP1 P09874 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
COMT P21964 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35
CYP11B2 P19099 3/20 0.35
ALK Q9UM73 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
GLO1 Q04760 1/20 0.34
SYK P43405 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP17A1 P05093 1/20 0.33

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
SCHEMBL21395964 0.98 CCR1 (0.40) CCR1CCR8FABP1PDK2L3MBTL1
SCHEMBL14508246 0.83 CCR1 (0.46) CCR1CCR8L3MBTL1PDE4APDE4C
SCHEMBL14508241 0.83 CCR1 (0.46) CCR1CCR8L3MBTL1PDE4APDE4C
SCHEMBL21396161 0.83 FABP1 (0.41) CCR1CCR8FABP1PDK2L3MBTL1
SCHEMBL20726714 0.82 ABCG2 (0.44) CCR1CCR8FABP1L3MBTL1PARP1
SCHEMBL20726800 0.81 ABCG2 (0.44) CCR1CCR8FABP1L3MBTL1PARP1
SCHEMBL21396192 0.80 PGR (0.40) CCR1CCR8FABP1L3MBTL1PGR
SCHEMBL19060715 0.78 PDE4A (0.36) FABP1PDK2PGRPDE4APDE4C
SCHEMBL20713486 0.78 FABP1 (0.40) CCR1CCR8FABP1L3MBTL1PARP1
SCHEMBL19770063 0.78 PDK2 (0.38) PDK2PGRALKALDH1A1

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-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, PPOX, SUN2 CCR1 4251/4885CCR8 2811/4885FABP1 4775/4885

“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.