SCHEMBL21990899

SCHEMBL21990899

Cc1ccc(-c2cc(C)c(C)cc2C)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.60
CCR5 P51681 2/20 0.60
CCR8 P51685 2/20 0.60
HDAC6 Q9UBN7 1/20 0.60
METAP2 P50579 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2A6 P11509 1/20 0.43
PTGS2 P35354 2/20 0.42
NOS3 P29474 2/20 0.40
NOS2 P35228 2/20 0.40
MERTK Q12866 1/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL21266019 0.83 CCR1 (0.50) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL24066438 0.83 CCR1 (0.60) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL18814932 0.83 CCR1 (0.60) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL24395066 0.82 CCR1 (0.48) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL1923831 0.77 CCR1 (0.52) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL23667868 0.77 CCR1 (0.52) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL23339298 0.77 CCR1 (0.62) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL13515206 0.77 CCR1 (0.70) CCR1CCR5CCR8HDAC6METAP2
Abametapir SCHEMBL351152 0.77 CCR1 (1.00) CCR1CCR5CCR8HDAC6METAP2
Abametapir SCHEMBL29374261 0.77 CCR1 (1.00) CCR1CCR5CCR8HDAC6METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230006151-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-01-05 US disclosed
US-10651403-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-05-12 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 (2 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-20230006151-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L1CAM, EPCAM, LEF1 CCR1 1841/4885CCR5 1531/4885CCR8 3242/4885
US-10651403-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, JUND CCR1 4293/4885CCR5 2533/4885CCR8 3791/4885

“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.