SCHEMBL18859626

SCHEMBL18859626

c1ccc2c(c1)ccc1cc(-c3ccc(-c4nc5sc6ccccc6c5c5ccccc45)cc3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 2/20 0.38
▸ NQO1 P15559 1/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ ELANE P08246 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP1B1 Q16678 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HPRT1 P00492 1/20 0.33
▸ F9 P00740 2/20 0.33
▸ ADK P55263 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPK8 P45983 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
SCHEMBL24281767 0.93 MEN1 (0.38) NQO2NQO1CYP1A2ELANEERBB2
SCHEMBL18859620 0.92 ESR1 (0.39) NQO2NQO1CYP1A2ELANEALDH1A1
SCHEMBL22273878 0.90 MEN1 (0.36) NQO2NQO1ELANEMAOAALDH1A1
SCHEMBL18859678 0.88 ELANE (0.36) ELANEALDH1A1ADKMAPTHPGD
SCHEMBL24280183 0.88 MEN1 (0.33) NQO2NQO1CYP1A2ELANEERBB2
SCHEMBL19106541 0.86 ADK (0.35) NQO2NQO1CYP1A2ELANEERBB2
SCHEMBL24280525 0.86 MEN1 (0.34) NQO2NQO1CYP1A2ELANEERBB2
SCHEMBL19106394 0.85 MEN1 (0.36) NQO2NQO1CYP1A2ELANEERBB2
SCHEMBL18859614 0.84 HSD17B1 (0.39) NQO2NQO1CYP1A2ELANEALDH1A1
SCHEMBL18859625 0.84 GPR3 (0.39) CYP1A2ELANEMAOAALDH1A1ADK

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 NQO2 1849/4885NQO1 70/4885CYP1A2 179/4885
US-10644244-B2 Heterocyclic compound and organic light emitting device using same CRY1, CRY2, CYBA NQO2 1849/4885NQO1 70/4885CYP1A2 179/4885

“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.

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