SCHEMBL16723889

SCHEMBL16723889

CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2cccc3c2Oc2c(ccc4c2-c2ccccc2C4(C)C)S3)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
DRD1 P21728 2/20 0.36
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL16723949 0.93 ATM (0.39) ATMDRD1MLNRNR1I2CHRM2
SCHEMBL16723891 0.91 ATM (0.36) ATMDRD1
SCHEMBL16723893 0.91 ATM (0.36) ATMDRD1
SCHEMBL16723971 0.91 ATM (0.37) ATMDRD1
SCHEMBL16724085 0.88 ATM (0.34) ATM
SCHEMBL16723784 0.88 ATM (0.35) ATMDRD1
SCHEMBL16724083 0.87 ATM (0.48) ATMDRD1MLNRNR1I2CHRM2
SCHEMBL16724084 0.87 ATM (0.34) ATMDRD1
SCHEMBL16723985 0.87 ATM (0.35) ATMDRD1
SCHEMBL16723687 0.85 ATM (0.34) ATMDRD1

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-9368733-B2 Compound for organic optoelectronic device, organic light-emitting device containing the same, and display device including said organic light-emitting device SAMSUNG SDI CO., LTD. (KR) 2016-06-14 US disclosed
US-9368733-B2 Compound for organic optoelectronic device, organic light-emitting device containing the same, and display device including said organic light-emitting device SAMSUNG SDI CO., LTD. (KR) 2016-06-14 US disclosed
US-20150137111-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME, AND DISPLAY DEVICE INCLUDING SAID ORGANIC LIGHT-EMITTING DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-05-21 US disclosed
US-20150137111-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME, AND DISPLAY DEVICE INCLUDING SAID ORGANIC LIGHT-EMITTING DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-05-21 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-20150137111-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME, AND DISPLAY DEVICE INCLUDING SAID ORGANIC LIGHT-EMITTING DEVICE OR51E2, AOX1, OCIAD1 ATM 4377/4885DRD1 230/4885MLNR 4116/4885

“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.