SCHEMBL21740478

SCHEMBL21740478

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7c8oc9ccccc9c8ccc76)ccc45)n3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
PTGER4 P35408 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
PRKDC P78527 1/20 0.32
PLA2G2A P14555 2/20 0.32
PLA2G4A P47712 2/20 0.32
MAPT P10636 5/20 0.32
ALOX5 P09917 1/20 0.32
LMNA P02545 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 4/20 0.31
POLB P06746 2/20 0.31
HPGD P15428 1/20 0.31
HCRTR1 O43613 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 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
SCHEMBL16811427 0.97 TSHR (0.34) TSHRPTGER4MMP12MMP13PRKDC
SCHEMBL21883297 0.96 ALDH1A1 (0.32) TSHRPTGER4MMP12MMP13PRKDC
SCHEMBL21740464 0.96 TSHR (0.35) TSHRPTGER4PRKDCMAPTALOX5
SCHEMBL25662513 0.95 TSHR (0.33) TSHRPTGER4MMP12MMP13PRKDC
SCHEMBL25132949 0.95 TSHR (0.34) TSHRMMP12MMP13PRKDCPLA2G2A
SCHEMBL27444632 0.95 TSHR (0.34) TSHRMMP12MMP13PRKDCMAPT
SCHEMBL27444609 0.95 TSHR (0.33) TSHRMMP12MMP13PRKDCKDM4E
SCHEMBL27444598 0.95 TSHR (0.33) TSHRMMP12MMP13PRKDCKDM4E
SCHEMBL27444607 0.95 TSHR (0.33) TSHRMMP12MMP13PRKDCKDM4E
SCHEMBL27444608 0.95 TSHR (0.33) TSHRMMP12MMP13PRKDCKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11785844-B2 Organic light emitting device, method for manufacturing same and composition for organic material layer LT MATERIALS CO., LTD. (KR) 2023-10-10 US disclosed
US-11785844-B2 Organic light emitting device, method for manufacturing same and composition for organic material layer LT MATERIALS CO., LTD. (KR) 2023-10-10 US disclosed
US-11387418-B2 Organic light emitting element and composition for organic material layer in organic light emitting element LT MATERIALS CO., LTD. (KR) 2022-07-12 US disclosed
EP-3611173-B1 ORGANIC LIGHT EMITTING ELEMENT AND COMPOSITION FOR ORGANIC MATERIAL LAYER IN ORGANIC LIGHT EMITTING ELEMENT LT MATERIALS CO LTD (KR) 2021-07-28 EP disclosed
US-20210057651-A1 ORGANIC LIGHT EMITTING DEVICE, METHOD FOR MANUFACTURING SAME AND COMPOSITION FOR ORGANIC MATERIAL LAYER LT MATERIALS CO., LTD. (KR) 2021-02-25 US disclosed
US-20200381629-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2020-12-03 US disclosed
US-20200119285-A1 ORGANIC LIGHT EMITTING ELEMENT AND COMPOSITION FOR ORGANIC MATERIAL LAYER IN ORGANIC LIGHT EMITTING ELEMENT HEESUNG MATERIAL LTD. (KR) 2020-04-16 US disclosed
EP-3611173-A1 ORGANIC LIGHT EMITTING ELEMENT AND COMPOSITION FOR ORGANIC MATERIAL LAYER IN ORGANIC LIGHT EMITTING ELEMENT Heesung Material Ltd. (KR) 2020-02-19 EP 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-11387418-B2 Organic light emitting element and composition for organic material layer in organic light emitting element CRY1, CYBA, L1CAM TSHR 4716/4885PTGER4 1124/4885MMP12 4172/4885
US-20200119285-A1 ORGANIC LIGHT EMITTING ELEMENT AND COMPOSITION FOR ORGANIC MATERIAL LAYER IN ORGANIC LIGHT EMITTING ELEMENT CRY1, CYBA, L1CAM TSHR 4716/4885PTGER4 1124/4885MMP12 4172/4885
US-20200381629-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, CYP1A1 TSHR 4080/4885PTGER4 717/4885MMP12 4380/4885

“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.