SCHEMBL17705013

SCHEMBL17705013

Brc1cc2c3ccccc3n3c4ccc(-c5ccccc5)cc4c(c1)c23

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSPO P30536 6/20 0.42
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
DNM1 Q05193 1/20 0.36
NPY5R Q15761 1/20 0.34
NR4A2 P43354 2/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G4A P47712 1/20 0.33
MEN1 O00255 1/20 0.33
RAD52 P43351 1/20 0.33
KMT2A Q03164 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
PTGER4 P35408 1/20 0.33
ACLY P53396 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAOB P27338 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
SCHEMBL16621683 0.90 TSPO (0.46) TSPOALDH1A1DNM1NPY5RNR4A2
SCHEMBL16621693 0.90 TSPO (0.46) TSPOALDH1A1DNM1NPY5RNR4A2
SCHEMBL16621740 0.90 TSPO (0.46) TSPOALDH1A1DNM1NPY5RNR4A2
SCHEMBL23138557 0.90 TSPO (0.46) TSPOALDH1A1DNM1NPY5RNR4A2
SCHEMBL29442042 0.90 TSPO (0.46) TSPOALDH1A1DNM1NPY5RNR4A2
SCHEMBL24794463 0.90 TSPO (0.46) TSPOALDH1A1DNM1NPY5RNR4A2
SCHEMBL29442038 0.89 ALDH1A1 (0.44) TSPOALDH1A1MAPK1DNM1NR4A2
SCHEMBL21454045 0.89 TSPO (0.45) TSPOALDH1A1DNM1NPY5RNR4A2
SCHEMBL23814025 0.88 ALDH1A1 (0.42) TSPOALDH1A1MAPK1DNM1NR4A2
SCHEMBL23823892 0.87 TSPO (0.44) TSPOALDH1A1DNM1NPY5RNR4A2

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-20160118600-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-04-28 US disclosed
US-20160118600-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-04-28 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-20160118600-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CRY2 TSPO 4512/4885ALDH1A1 142/4885MAPK1 1252/4885

“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.