Sugi Predict

Sugi Predict / Compounds / SCHEMBL3557265

SCHEMBL3557265

SCHEMBL3557265

CC1(C)c2ccccc2-c2ccc(C=O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.41
▸ MLNR O43193 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL29588873 0.91 ALDH1A1 (0.41) ALDH1A1CYP2A6TSHRKDM4EPTGS2
SCHEMBL12934281 0.91 ALDH1A1 (0.41) ALDH1A1CYP2A6TSHRKDM4EPTGS2
SCHEMBL17515239 0.89 MLNR (0.38) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL2396252 0.85 PDK2 (0.34) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL1053716 0.83 ALDH1A1 (0.40) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL13805748 0.83 ALDH1A1 (0.40) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL13372022 0.82 CYP2A6 (0.47) PDK2ALDH1A1CYP2A6TSHRKDM4E
SCHEMBL14427937 0.82 ALK (0.41) ALDH1A1CYP2A6TSHRKDM4EPTGS2
SCHEMBL1477667 0.82 PDK2 (0.41) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL16346749 0.81 ALDH1A1 (0.41) PDK2DRD2DRD1DRD3ALDH1A1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 — — US disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 — — US disclosed
US-20230322694-A1 COMPOUND SUMITOMO CHEMICAL CO., LTD (JP) 2023-10-12 — — US disclosed
CN-111285877-B Organic electroluminescent material and device 北京鼎材科技有限公司 2023-05-23 — — CN disclosed
CN-109608500-B Organic electroluminescent compound, preparation and application thereof, and electroluminescent device comprising organic electroluminescent compound 石家庄诚志永华显示材料有限公司 2021-05-14 — — CN disclosed
US-11005050-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-05-11 — — US disclosed
EP-3424936-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-04-07 — — EP disclosed
CN-111285877-A Organic electroluminescent material and device 北京鼎材科技有限公司 2020-06-16 — — CN disclosed
EP-3424936-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2019-01-09 — — EP disclosed
WO-2018000175-A1 PROCESS FOR MAKING AN ORGANIC CHARGE TRANSPORTING FILM DOW GLOBAL TECHNOLOGIES LLC (US) 2018-01-04 — — WO disclosed
US-8072137-B2 Fused heterocyclic compound and organic light emitting device CANON KABUSHIKI KAISHA (JP) 2011-12-06 — — US disclosed
US-7663301-B2 for use as robust red organic phosphors GENERAL ELECTRIC COMPANY (US) 2010-02-16 — — US disclosed
CN-101490008-A Fused heterocyclic compound and organic light emitting device CANON KK (JP) 2009-07-22 — — CN disclosed
US-20090121625-A1 FUSED HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2009-05-14 — — US disclosed
US-20090121625-A1 FUSED HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2009-05-14 — — US disclosed
US-20090121625-A1 FUSED HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2009-05-14 — — US disclosed
WO-2008016166-A1 FUSED HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2008-02-07 — — WO disclosed
WO-2008016166-A1 FUSED HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2008-02-07 — — WO disclosed
WO-2006076247-A2 PHOSPHORESCENT FLUORENE, ANTHRACENE AND/OR THIOPHENE SUBSTITUTED METALLO- PORPHYRINS AND RELATED COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2006-07-20 — — WO disclosed
US-20060152149-A1 Porphyrin compositions GENERAL ELECTRIC COMPANY (US) 2006-07-13 — — 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 (5 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-20090121625-A1 FUSED HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE TYR, CRY1, LAGE3 PDK2 2469/4885MLNR 4247/4885NR1I2 756/4885
US-20060152149-A1 Porphyrin compositions ACP1, MMS19, MVD PDK2 1743/4885MLNR 2590/4885NR1I2 3301/4885
US-11005050-B2 Metal complexes SOD1, AP1M1, AP3M1 PDK2 2330/4885MLNR 4827/4885NR1I2 2951/4885
US-20230322694-A1 COMPOUND RAD51, NR0B1, XRN2 PDK2 3369/4885MLNR 4546/4885NR1I2 63/4885
US-11917901-B2 Metal complexes MCOLN2, MCOLN1, AP1M1 PDK2 3019/4885MLNR 4024/4885NR1I2 2747/4885

“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.