SCHEMBL21472968

SCHEMBL21472968

c1ccc2c(-c3ccc4c5ccccc5c5ccc6c7ccccc7n7c3c4c5c67)cccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 2/20 0.36
THRB P10828 1/20 0.36
HPRT1 P00492 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HIF1A Q16665 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 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
SCHEMBL21473044 0.80 HSD17B10 (0.35) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL21473043 0.79 PARP14 (0.40) ALDH1A1HPGDKDM4EPOLBMEN1
SCHEMBL21472965 0.78 GSTP1 (0.39) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL17206513 0.78 TDP1 (0.42) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL22707155 0.77 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL21472958 0.77 HSP90AA1 (0.33) ALDH1A1HPGDKDM4EPOLBMEN1
SCHEMBL21472979 0.77 KDM4E (0.40) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL21473020 0.77 HSD17B10 (0.39) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL21473045 0.77 KDM4E (0.32) ALDH1A1HPGDHSD17B10TSHRKDM4E
SCHEMBL25459729 0.76 KDM4E (0.39) ALDH1A1HPGDHSD17B10CYP1A2TSHR

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-20190315759-A1 HOST MATERIALS FOR ELECTROLUMINESCENT DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-10-17 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-20190315759-A1 HOST MATERIALS FOR ELECTROLUMINESCENT DEVICES OSBP, OSBP2, OSBPL3 ALDH1A1 1398/4885HPGD 1208/4885HSD17B10 804/4885

“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.