SCHEMBL17645472

SCHEMBL17645472

Clc1cc(Cl)c([C](c2c(Cl)cncc2Cl)c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 4/20 0.40
CYP3A4 P08684 2/20 0.40
RECQL P46063 2/20 0.40
HPGD P15428 2/20 0.36
SPR P35270 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
P2RX7 Q99572 2/20 0.33
ADRB2 P07550 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
NR1I2 O75469 1/20 0.32
SLC22A3 O75751 1/20 0.32
EGFR P00533 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
SCHEMBL4077906 0.84 TSHR (0.53) TSHRALDH1A1HSD17B10CYP3A4RECQL
SCHEMBL17645475 0.70 ALDH1A1 (0.41) TSHRALDH1A1HSD17B10CYP3A4RECQL
SCHEMBL23517238 0.65 ADRB2 (0.34) CYP3A4ADRB2
SCHEMBL111872 0.65 HCAR2 (0.46) ALDH1A1HSD17B10CYP3A4KMT2AMEN1
SCHEMBL1666884 0.65 ALDH1A1 (0.54) ALDH1A1CYP3A4HCAR2P2RX7ADRB2
SCHEMBL18243702 0.64 TSHR (0.48) TSHRALDH1A1HSD17B10CYP3A4RECQL
SCHEMBL5261080 0.63 CYP3A4 (0.38) ALDH1A1CYP3A4HCAR2P2RX7ADRB2
SCHEMBL6971898 0.63 CYP3A4 (0.38) ALDH1A1CYP3A4ADRB2PLAU
SCHEMBL5760445 0.63 HCAR2 (0.45) ALDH1A1HSD17B10CYP3A4KMT2AMEN1
SCHEMBL7905117 0.63 CYP3A4 (0.38) CYP3A4HCAR2P2RX7ADRB2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9935271-B2 Organic electroluminescent device based on neutral free-radical electroluminescent material JILIN UNIVERSTIY (CN) 2018-04-03 US disclosed
US-9935271-B2 Organic electroluminescent device based on neutral free-radical electroluminescent material JILIN UNIVERSTIY (CN) 2018-04-03 US disclosed
US-20160099415-A1 ORGANIC ELECTROLUMINESCENT DEVICE BASED ON NEUTRAL FREE-RADICAL ELECTROLUMINESCENT MATERIAL JILIN UNIVERSITY (CN) 2016-04-07 US disclosed
US-20160099415-A1 ORGANIC ELECTROLUMINESCENT DEVICE BASED ON NEUTRAL FREE-RADICAL ELECTROLUMINESCENT MATERIAL JILIN UNIVERSITY (CN) 2016-04-07 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-20160099415-A1 ORGANIC ELECTROLUMINESCENT DEVICE BASED ON NEUTRAL FREE-RADICAL ELECTROLUMINESCENT MATERIAL MT-ND4L, FARS2, GPX4 TSHR 993/4885ALDH1A1 2101/4885HSD17B10 4136/4885

“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.