SCHEMBL18859604

SCHEMBL18859604

c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2nc3sc4ccccc4c3c3ccccc23)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.34
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ LIMK1 P53667 1/20 0.31
▸ GPR3 P46089 1/20 0.31
▸ PIM3 Q86V86 2/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ ADK P55263 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ F9 P00740 1/20 0.30
▸ ALOX5 P09917 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PI4KA P42356 1/20 0.30
▸ PI4KB Q9UBF8 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
SCHEMBL18859678 0.92 ELANE (0.36) ELANELIMK1GPR3PIM3ADK
SCHEMBL22274333 0.92 MEN1 (0.35) ELANELIMK1PIM3PIM1ALDH1A1
SCHEMBL22274326 0.91 MEN1 (0.36) ELANEALDH1A1MAPTHPGDRAB9A
SCHEMBL18859681 0.91 GPR3 (0.37) ELANEHSD17B1HSD17B2LIMK1GPR3
SCHEMBL22273764 0.89 MEN1 (0.38) ELANEALDH1A1MAPTHPGDADORA2A
SCHEMBL18859614 0.88 HSD17B1 (0.39) ELANEHSD17B1HSD17B2ALDH1A1MAPT
SCHEMBL22274328 0.87 MEN1 (0.40) ELANELIMK1PIM3ALDH1A1MAPT
SCHEMBL22274113 0.87 MEN1 (0.39) ALDH1A1MAPTHPGDADORA2A
SCHEMBL18370710 0.86 ADORA2A (0.39) ELANELIMK1PIM3PIM1ALDH1A1
SCHEMBL19106545 0.86 ADK (0.33) ELANEADKALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10644244-B2 Heterocyclic compound and organic light emitting device using same LT MATERIALS CO., LTD. (KR) 2020-05-05 — — US disclosed
US-20170141325-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2017-05-18 — — US disclosed
US-20170141325-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2017-05-18 — — 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-20170141325-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, CRY2, CYBA ELANE 4401/4885HSD17B1 1731/4885HSD17B2 943/4885
US-10644244-B2 Heterocyclic compound and organic light emitting device using same CRY1, CRY2, CYBA ELANE 4401/4885HSD17B1 1731/4885HSD17B2 943/4885

“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.

Send feedback