SCHEMBL557360

SCHEMBL557360

CC(=O)c1cccc(C(C)C)c1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
LMNA P02545 2/20 0.45
GABRB2 P47870 2/20 0.45
FAAH O00519 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
GABRB1 P18505 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2C P28335 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
HTR2B P41595 1/20 0.45
GABRA2 P47869 1/20 0.45

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
SCHEMBL29214418 0.86 GABRA1 (0.46) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL16466774 0.84 LMNA (0.45) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL13662505 0.84 TSHR (0.46) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL22325667 0.83 GABRA1 (0.48) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL1635308 0.83 GABRA1 (0.50) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL29567244 0.83 GABRA1 (0.50) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL13699876 0.82 NOTUM (0.46) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL6864306 0.82 GABRA1 (0.43) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL30797325 0.82 IRAK4 (0.44) GABRA1GABRG2GABRB3LMNAGABRB2
Hydrochloric Acid SCHEMBL9117656 0.82 LMNA (0.43) GABRA1GABRG2GABRB3LMNAGABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017136-B2 Shiny foundation THE PROCTER & GAMBLE COMPANY (US) 2011-09-13 US claimed
CN-112533920-A Light stabilizer compounds, compositions and methods ELC 管理有限责任公司 2021-03-19 CN disclosed
CN-112533578-A Light stabilizer compounds, compositions and methods ELC 管理有限责任公司 2021-03-19 CN disclosed
CN-112533577-A Light stabilizer compounds, compositions and methods ELC 管理有限责任公司 2021-03-19 CN disclosed
CN-112513014-A Light stabilizer compounds, compositions and methods ELC 管理有限责任公司 2021-03-16 CN disclosed
CN-104797237-B Methods and compositions for improving selective catabolism in cells on the surface of keratin ELC 管理有限责任公司 2020-11-24 CN disclosed
US-10806233-B2 Mascara composition and method ELC MANAGEMENT LLC (US) 2020-10-20 US disclosed
CN-111494253-A Methods and compositions for improving selective catabolism and viability in cells on the surface of keratin ELC 管理有限责任公司 2020-08-07 CN disclosed
US-20190014883-A1 Mascara Composition And Method ELC MANAGEMENT LLC 2019-01-17 US disclosed
CN-108472205-A Mascara and method ELC 管理有限责任公司 2018-08-31 CN disclosed
US-20090261714-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-22 US disclosed
US-20090252990-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-08 US disclosed
US-20090252990-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-08 US disclosed
US-20090184631-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-23 US disclosed
US-20090184629-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-23 US disclosed
US-20090179555-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-16 US disclosed
US-20090179555-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-16 US disclosed
US-20090174316-A1 Novel red electroluminescent compounds and organi electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-09 US disclosed
US-20090153037-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-06-18 US disclosed
US-20090153037-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-06-18 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 (9 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-20090261714-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, ODC1, LEF1 GABRA1 3315/4885GABRG2 4172/4885GABRB3 3804/4885
US-20090252990-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, LEF1, ODC1 GABRA1 3200/4885GABRG2 4064/4885GABRB3 3757/4885
US-20090184631-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same ALDH1A2, ODC1, NDUFS2 GABRA1 3608/4885GABRG2 4378/4885GABRB3 3976/4885
US-20090174316-A1 Novel red electroluminescent compounds and organi electroluminescent device using the same ALPI, IK, ALDH1A2 GABRA1 4353/4885GABRG2 4673/4885GABRB3 4685/4885
US-20090153037-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same NDUFS2, ALDH1A2, ODC1 GABRA1 3507/4885GABRG2 4301/4885GABRB3 3949/4885
US-20090184629-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same IK, TYR, EYA2 GABRA1 4267/4885GABRG2 4431/4885GABRB3 4379/4885
US-20090179555-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same NDUFS2, ALDH1A2, ODC1 GABRA1 3507/4885GABRG2 4301/4885GABRB3 3949/4885
US-20190014883-A1 Mascara Composition And Method KRT18, ALG3, ANXA3 GABRA1 3784/4885GABRG2 3872/4885GABRB3 3199/4885
US-10806233-B2 Mascara composition and method KRT18, ALG3, ANXA3 GABRA1 3784/4885GABRG2 3872/4885GABRB3 3199/4885

“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.