SCHEMBL22182960

SCHEMBL22182960

OB(O)c1cccc2c1oc1c(-c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 11/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ MGLL Q99685 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ PIK3CD O00329 3/20 0.40
▸ PIK3CA P42336 3/20 0.40
▸ PIK3CB P42338 3/20 0.40
▸ PIK3CG P48736 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ BRD2 P25440 2/20 0.40
▸ BRD3 Q15059 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ PIK3C2A O00443 1/20 0.40
▸ PIK3R2 O00459 1/20 0.40
▸ PIK3C2B O00750 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL14935848 0.93 PRKDC (0.42) PRKDCALOX5MGLLALDH1A1PIK3CD
SCHEMBL30886452 0.93 PRKDC (0.42) PRKDCALOX5MGLLALDH1A1PIK3CD
SCHEMBL15678607 0.88 ALOX5 (0.37) PRKDCALOX5MGLLALDH1A1PIK3CD
SCHEMBL22182957 0.86 ALOX5 (0.49) PRKDCALOX5ALDH1A1PIK3CDPIK3CA
SCHEMBL22174960 0.86 ALOX5 (0.49) PRKDCALOX5ALDH1A1PIK3CDPIK3CA
SCHEMBL22174961 0.86 ALOX5 (0.49) PRKDCALOX5ALDH1A1PIK3CDPIK3CA
SCHEMBL22174894 0.86 ALOX5 (0.49) PRKDCALOX5ALDH1A1PIK3CDPIK3CA
SCHEMBL22182836 0.86 ALOX5 (0.49) PRKDCALOX5ALDH1A1PIK3CDPIK3CA
SCHEMBL22175039 0.86 ALOX5 (0.49) PRKDCALOX5ALDH1A1PIK3CDPIK3CA
SCHEMBL22182840 0.86 ALOX5 (0.49) PRKDCALOX5ALDH1A1PIK3CDPIK3CA

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-11697645-B2 Heterocyclic compound, composition including heterocyclic compound, and organic light-emitting device including heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-11 — — US disclosed
US-11697645-B2 Heterocyclic compound, composition including heterocyclic compound, and organic light-emitting device including heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-11 — — US disclosed
US-20200207732-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING HETEROCYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 — — 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-11697645-B2 Heterocyclic compound, composition including heterocyclic compound, and organic light-emitting device including heterocyclic compound CYP1B1, CYP1A1, CCNT1 PRKDC 4705/4885ALOX5 1209/4885MGLL 3827/4885
US-20200207732-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING HETEROCYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND CYP1B1, CYP1A1, CCNT1 PRKDC 4705/4885ALOX5 1209/4885MGLL 3827/4885

“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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