SCHEMBL20172847

SCHEMBL20172847

CCc1ccccc1N(C)c1cccc2c1oc1c(C3CCCCC3)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.35
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
NSD2 O96028 1/20 0.34
MPI P34949 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
NAAA Q02083 1/20 0.32
CYP1B1 Q16678 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
METAP2 P50579 2/20 0.31
LMNA P02545 1/20 0.31
DRD2 P14416 1/20 0.31
SLC6A4 P31645 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL21020440 0.91 CEL (0.35) CELHTR1DHTR1BKDM4EMEN1
SCHEMBL20172854 0.88 CEL (0.36) CELHTR1DHTR1BKDM4EMEN1
SCHEMBL20650330 0.87 CEL (0.34) CELHTR1DHTR1BKDM4EMEN1
SCHEMBL20173598 0.85 NMBR (0.30)
SCHEMBL20172851 0.84 LMNA (0.35) CELHTR1DHTR1BKDM4EMEN1
SCHEMBL24433960 0.84 CEL (0.42) CELKDM4EMEN1KMT2ATDP1
SCHEMBL20172845 0.83 CEL (0.33) CELHTR1DHTR1BKDM4EMEN1
SCHEMBL20800844 0.83 HTR1A (0.36) CELHTR1DHTR1BKDM4EMEN1
SCHEMBL21021476 0.83 ADCY1 (0.32) CELHTR1DHTR1BHTR1AHTR7
SCHEMBL20172853 0.82 CEL (0.33) CELHTR1DHTR1BKDM4EMEN1

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-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (3 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 CEL 3965/4885HTR1D 2040/4885HTR1B 1680/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 CEL 3495/4885HTR1D 4365/4885HTR1B 3206/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 CEL 3965/4885HTR1D 2040/4885HTR1B 1680/4885

“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.