SCHEMBL21735856

SCHEMBL21735856

c1ccc(-c2nc3sc4ccccc4c3nc2-n2c3ccccc3c3cc4ccccc4cc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
HTR2C P28335 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21736536 0.98 NPY5R (0.34) NPY5RESR1ESR2HTR2C
SCHEMBL21736037 0.95 NPY5R (0.33) NPY5RESR1ESR2HTR2CKDM4E
SCHEMBL21736104 0.94 ESR1 (0.31) ESR1ESR2
SCHEMBL21736546 0.93 ESR1 (0.30) ESR1ESR2
SCHEMBL21736516 0.93 NPY5R (0.34) NPY5RESR1ESR2HTR2C
SCHEMBL21736034 0.91 TUBB4A (0.36) HTR2C
SCHEMBL21735889 0.90
SCHEMBL21735892 0.90 ESR1 (0.31) ESR1ESR2
SCHEMBL21941560 0.90 L3MBTL1 (0.41) NPY5RKDM4EHSD17B10
SCHEMBL24772483 0.89 ALDH1A1 (0.32)

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-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 NPY5R 4334/4885ESR1 72/4885ESR2 428/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 NPY5R 4334/4885ESR1 72/4885ESR2 428/4885

“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.