SCHEMBL23740426

SCHEMBL23740426

COc1cccc(Cl)c1-c1cc(F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.44
HSP90AB1 P08238 2/20 0.44
GRIA1 P42261 1/20 0.43
CACNG8 Q8WXS5 1/20 0.43
CHEK1 O14757 1/20 0.40
WEE1 P30291 1/20 0.40
CTSA P10619 1/20 0.40
MAPT P10636 3/20 0.40
AMY1A P0DUB6 1/20 0.40
TGFBR1 P36897 1/20 0.40
MAPK14 Q16539 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ORAI1 Q96D31 1/20 0.39

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
SCHEMBL21638244 0.87 MAPK14 (0.44) HSP90AA1HSP90AB1GRIA1CACNG8CHEK1
SCHEMBL22760437 0.83 DHPS (0.44) HSP90AA1HSP90AB1GRIA1CACNG8MAPT
SCHEMBL3207761 0.83 HSP90AA1 (0.43) HSP90AA1HSP90AB1GRIA1CACNG8CTSA
SCHEMBL5186081 0.83 ORAI1 (0.43) HSP90AA1HSP90AB1GRIA1CACNG8CTSA
SCHEMBL24390459 0.81 TGFBR1 (0.45) HSP90AA1HSP90AB1MAPTAMY1ATGFBR1
SCHEMBL21638093 0.79 HSP90AA1 (0.42) HSP90AA1HSP90AB1GRIA1CACNG8CTSA
SCHEMBL19802451 0.78 HSP90AA1 (0.46) HSP90AA1HSP90AB1GRIA1CACNG8MAPT
SCHEMBL24119009 0.77 CA3 (0.44) HSP90AA1CHEK1WEE1AMY1AMAPK14
SCHEMBL7907219 0.76 HSP90AA1 (0.49) HSP90AA1HSP90AB1GRIA1CACNG8CHEK1
SCHEMBL4220947 0.75 KMT2A (0.49) HSP90AA1HSP90AB1GRIA1CACNG8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395263-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE LT MATERIALS CO., LTD. (KR) 2021-12-23 US disclosed
EP-3862353-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE LT Materials Co., Ltd. (KR) 2021-08-11 EP 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-20210395263-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE ODC1, AOX1, CYP1B1 HSP90AA1 4220/4885HSP90AB1 4409/4885GRIA1 1728/4885

“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.