SCHEMBL22216701

SCHEMBL22216701

CC(C)(C)Cc1cccc(-c2cccc3sc4ccccc4c23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 2/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ HTR7 P34969 5/20 0.35
▸ GPR3 P46089 1/20 0.34
▸ BRDT Q58F21 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ F9 P00740 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32

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
SCHEMBL22216760 0.86 GPR3 (0.36) ALOX5GPR3BRDTSLC22A12MAPT
SCHEMBL22216517 0.84 ALOX5 (0.53) GGPS1ALOX5HTR7GPR3BRDT
SCHEMBL23621729 0.81 ALDH1A1 (0.45) GGPS1ALOX5GPR3MAPTHPGD
SCHEMBL22216743 0.81 PTPN7 (0.40) GGPS1ALOX5GPR3MAPTHPGD
SCHEMBL15855434 0.79 GPR3 (0.46) ALOX5GPR3BRDTMAPTHPGD
SCHEMBL25450825 0.79 KIF11 (0.41) ALOX5GPR3BRDTRAB9AALDH1A1
SCHEMBL21446235 0.77 MAPT (0.50) ALOX5GPR3BRDTMAPTHPGD
SCHEMBL19001871 0.77 SLC9A1 (0.47) ALOX5GPR3BRDTMAPTRAB9A
SCHEMBL24272439 0.77 GGPS1 (0.49) GGPS1ALOX5HTR7MAPTHPGD
SCHEMBL25680445 0.76 GPR3 (0.43) ALOX5GPR3BRDTMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11563184-B2 Heterocyclic compound and organic light emitting element containing same LG CHEM, LTD. (KR) 2023-01-24 — — US disclosed
US-11203584-B2 Nitrogen-containing compound, electronic element and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2021-12-21 — — US disclosed
US-20210206741-A1 Nitrogen-containing compound, electronic element and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2021-07-08 — — US disclosed
US-20200227646-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT CONTAINING SAME LG CHEM, LTD. (KR) 2020-07-16 — — 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 (4 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-20200227646-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT CONTAINING SAME CRY1, CRY2, CYP1A1 GGPS1 113/4885ALOX5 613/4885HTR7 2952/4885
US-20210206741-A1 Nitrogen-containing compound, electronic element and electronic device NOS1, PRMT1, MNS1 GGPS1 3543/4885ALOX5 3383/4885HTR7 3884/4885
US-11563184-B2 Heterocyclic compound and organic light emitting element containing same CRY1, CRY2, CYP1A1 GGPS1 113/4885ALOX5 613/4885HTR7 2952/4885
US-11203584-B2 Nitrogen-containing compound, electronic element and electronic device NOS1, PRMT1, MNS1 GGPS1 3543/4885ALOX5 3383/4885HTR7 3884/4885

“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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