SCHEMBL17816710

SCHEMBL17816710

Clc1ccc2c(c1)C1(c3ccccc3S2)c2ccccc2-c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
PDK2 Q15119 2/20 0.43
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
CYP3A4 P08684 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
SLC22A1 O15245 1/20 0.38
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRB1 P08588 1/20 0.38

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
SCHEMBL23372313 0.98 BCHE (0.47) BCHEACHENOX1PDK2HPGD
SCHEMBL22891491 0.92 PDK2 (0.47) BCHEACHENOX1PDK2HPGD
SCHEMBL23372318 0.89 PDK2 (0.44) BCHEACHENOX1PDK2HPGD
SCHEMBL23372316 0.89 PDK2 (0.51) BCHEACHENOX1PDK2HPGD
SCHEMBL21517433 0.87 PDK2 (0.40) BCHEACHENOX1PDK2HPGD
SCHEMBL21342637 0.87 PDK2 (0.40) BCHEACHENOX1PDK2HPGD
SCHEMBL24723595 0.86 PDK2 (0.44) BCHEACHENOX1PDK2HPGD
SCHEMBL21517333 0.86 LMNA (0.44) BCHEACHENOX1PDK2HPGD
SCHEMBL23372411 0.86 PDK2 (0.49) BCHEACHENOX1PDK2HPGD
SCHEMBL21517335 0.86 PDK2 (0.40) BCHEACHENOX1PDK2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227269-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
US-10573818-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-02-25 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
WO-2016087017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-09 WO 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-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, LEF1, EFNA1 BCHE 1753/4885ACHE 536/4885NOX1 398/4885
US-10573818-B2 Materials for organic electroluminescent devices PIEZO1, LEF1, EFNA1 BCHE 1753/4885ACHE 536/4885NOX1 398/4885

“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.