SCHEMBL21965993

SCHEMBL21965993

c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5ccc(-c6ccccc6)cc5n(-c5cccc6ccccc56)c4c3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
HTR6 P50406 3/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
NCF1 P14598 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
MTOR P42345 1/20 0.33
HTR3A P46098 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
SCHEMBL21965991 0.95 HSD17B1 (0.35) TDP1HTR6HTR1DCYP1A1CYP1B1
SCHEMBL19383359 0.94 ALDH1A1 (0.36) TDP1PTGS1PTGS2ALDH1A1HPGD
SCHEMBL16812253 0.91 TSPO (0.37) TDP1HTR6PTGS1PTGS2ALDH1A1
SCHEMBL16812247 0.91 TSPO (0.40) TDP1HTR6PTGS1PTGS2ALDH1A1
SCHEMBL21128615 0.91 KDM4E (0.37) TDP1HTR6PTGS1PTGS2ALDH1A1
SCHEMBL17464028 0.90 ALDH1A1 (0.33) TDP1HTR6PTGS1PTGS2ALDH1A1
SCHEMBL19152015 0.90 MCL1 (0.37) TDP1ALDH1A1TSPO
SCHEMBL26340170 0.89 TSPO (0.32) TDP1ALDH1A1TSPO
SCHEMBL26337718 0.88 TSPO (0.32) TDP1TSPO
SCHEMBL26340171 0.88 TSPO (0.32) TDP1TSPO

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-20210184128-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-06-17 US disclosed
US-20200144508-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2020-05-07 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 (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-20200144508-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OCIAD1, OCIAD2, OR10J3 TDP1 4094/4885HTR6 3745/4885PTGS1 3110/4885
US-20210184128-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OR10J3, OCIAD1, OXER1 TDP1 3620/4885HTR6 1784/4885PTGS1 708/4885

“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.