SCHEMBL17816907

SCHEMBL17816907

Clc1ccc(Br)c(Oc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP3A4 P08684 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.43
ALOX12 P18054 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
P2RY1 P47900 1/20 0.43
PLAU P00749 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 3/20 0.41
RHEB Q15382 2/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL23817083 0.88 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL30394966 0.88 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL29449350 0.82 SLC6A2 (0.40) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL3790316 0.82 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL811114 0.80 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL16890039 0.80 LTA4H (0.50) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL23406393 0.80 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL811731 0.80 SLC6A4 (0.53) CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL24893549 0.79 TSHR (0.52) CYP1A2CYP2C9CYP2C19CYP3A4KMT2A
SCHEMBL10487337 0.78 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605433-B Indenothiophene dioxide structure-containing organic material and application thereof 北京燕化集联光电技术有限公司 2024-02-27 CN disclosed
CN-114773360-B Organic material and application thereof in electroluminescent device 北京燕化集联光电技术有限公司 2024-01-05 CN disclosed
CN-114560870-B Sulfur-containing polycyclic aromatic compound and application thereof 北京燕化集联光电技术有限公司 2024-01-05 CN disclosed
CN-114573601-B Indenothiene dioxide structure-containing compound and application thereof 北京燕化集联光电技术有限公司 2024-01-05 CN disclosed
CN-114773360-A Organic material and application thereof in electroluminescent device 北京燕化集联光电技术有限公司 2022-07-22 CN disclosed
CN-114605433-A Organic material containing indenothiophene dioxide structure and application thereof 北京燕化集联光电技术有限公司 2022-06-10 CN disclosed
CN-114573601-A Compound containing indenothiophene dioxide structure and application thereof 北京燕化集联光电技术有限公司 2022-06-03 CN disclosed
CN-114560870-A Sulfur-containing polycyclic aromatic compound and application thereof 北京燕化集联光电技术有限公司 2022-05-31 CN disclosed
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 CYP1A2 306/4885CYP2C9 252/4885CYP2C19 282/4885
US-10573818-B2 Materials for organic electroluminescent devices PIEZO1, LEF1, EFNA1 CYP1A2 306/4885CYP2C9 252/4885CYP2C19 282/4885

“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.