SCHEMBL21736071

SCHEMBL21736071

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3ccc4ccccc4c3c2)nc2c1oc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
MAPT P10636 8/20 0.41
LMNA P02545 6/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 4/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 7/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HRH4 Q9H3N8 2/20 0.36
NPSR1 Q6W5P4 4/20 0.35
HPGD P15428 3/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 3/20 0.35
GAA P10253 2/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL21736032 0.94 TSHR (0.45) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL20669998 0.93 TSHR (0.44) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL21736122 0.93 TSHR (0.44) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL20068622 0.91 TSHR (0.39) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL21736454 0.90 TSHR (0.44) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL21736023 0.90 TSHR (0.44) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL21736070 0.89 TSHR (0.53) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL21475050 0.88 TSHR (0.40) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL20669837 0.88 TSHR (0.48) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL20670113 0.87 TSHR (0.40) TSHRMAPTLMNAKDM4EHSD17B10

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 TSHR 4719/4885MAPT 1009/4885LMNA 3949/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 TSHR 4719/4885MAPT 1009/4885LMNA 3949/4885

“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.