SCHEMBL17645475

SCHEMBL17645475

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 5/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
TP53 P04637 1/20 0.38
AHR P35869 2/20 0.33
HPGD P15428 1/20 0.33
SCN2A Q99250 1/20 0.32
CHUK O15111 1/20 0.32
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CYP19A1 P11511 1/20 0.32
GAA P10253 1/20 0.31
P2RX7 Q99572 1/20 0.31
MAPK1 P28482 1/20 0.31
ADRB2 P07550 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL4077910 0.83 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL20779844 0.76 IDO1 (0.35) ALDH1A1HSD17B10AHRGRIA1CACNG8
SCHEMBL17663505 0.75 KDM4E (0.41) ALDH1A1TP53HPGDGAAMAPK1
SCHEMBL24257647 0.70 GAA (0.32) GAAADRB2
SCHEMBL84898 0.70 MAPT (0.37) GAAADRB2
SCHEMBL23517582 0.70 RAPGEF4 (0.45) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL17645474 0.70 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL17645472 0.70 TSHR (0.40) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL24606784 0.69 KDR (0.35)
SCHEMBL22313095 0.69 KDR (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751107-A Open-shell singlet state luminous double free radicals and preparation method and application thereof 吉林大学 2023-09-15 CN claimed
CN-116751107-A Open-shell singlet state luminous double free radicals and preparation method and application thereof 吉林大学 2023-09-15 CN disclosed
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-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
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 ALDH1A1 2101/4885TSHR 993/4885HSD17B10 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.