Sugi Predict

Sugi Predict / Compounds / SCHEMBL2357992

SCHEMBL2357992

SCHEMBL2357992

CCCCCC1=CCC=CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.35
▸ PTGS2 P35354 4/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ ESR1 P03372 2/20 0.31
▸ ADRA2A P08913 2/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ TACR2 P21452 2/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SHBG P04278 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HSPD1 P10809 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HSPE1 P61604 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
SCHEMBL31247263 0.98 HTR2A (0.38) HTR2APTGS2CYP3A4ESR1ADRA2A
SCHEMBL3227379 0.85 — —
SCHEMBL1754426 0.82 — —
SCHEMBL17611180 0.81 MAOA (0.35) —
SCHEMBL6750456 0.80 TSHR (0.42) HTR2APTGS2CYP3A4ESR1ADRA2A
SCHEMBL1754051 0.80 TSHR (0.42) HTR2APTGS2CYP3A4ESR1ADRA2A
SCHEMBL1753858 0.80 TSHR (0.42) HTR2APTGS2CYP3A4ESR1ADRA2A
SCHEMBL6751772 0.80 TSHR (0.42) HTR2APTGS2CYP3A4ESR1ADRA2A
SCHEMBL6752031 0.80 TSHR (0.42) HTR2APTGS2CYP3A4ESR1ADRA2A
SCHEMBL6748375 0.80 TSHR (0.42) HTR2APTGS2CYP3A4ESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108383705-B Preparation method of 3, 7-diethyl nonane-4, 6-diketone 爱斯特（成都）生物制药股份有限公司 2021-08-31 — — CN claimed
US-20230270763-A1 METHOD OF TREATING CORONOVIRUS INFECTIONS WITH CANNABINOIDS AND DERIVATIVES PASCAL BIOSCIENCES INC (CA) 2023-08-31 — — US disclosed
CN-115485067-A Benzoperylene imide photoredox catalysts and methods of using such catalysts 科罗拉多州立大学研究基金会 2022-12-16 — — CN disclosed
EP-4087679-A2 BENZOPERYLENE IMIDE PHOTOREDOX CATALYSTS AND METHODS OF USING SUCH CATALYSTS Colorado State University Research Foundation (US) 2022-11-16 — — EP disclosed
CN-108383705-B Preparation method of 3, 7-diethyl nonane-4, 6-diketone 爱斯特（成都）生物制药股份有限公司 2021-08-31 — — CN disclosed
US-20120316150-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER INC. 2012-12-13 — — US disclosed
EP-1948615-B1 Pyrazole derivatives useful for the treatment of gynaecological diseases PFIZER LTD (GB) 2011-12-14 — — EP disclosed
EP-2350017-A1 AMIDE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2011-08-03 — — EP disclosed
WO-2010032200-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2010-03-25 — — WO disclosed
US-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 — — US disclosed
WO-2008135824-A1 OXYALKYLPYRAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2008-11-13 — — WO disclosed
US-7425569-B2 1H-pyrazoles useful in therapy PFIZER INC (US) 2008-09-16 — — US disclosed
EP-1948615-A2 COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2008-07-30 — — EP disclosed
WO-2008047224-A1 PYRAZOLYL-4-OXY-BENZONITRILE DERIVATIVES USEFUL IN TREATING ENDOMETRIOSIS PFIZER LIMITED (GB) 2008-04-24 — — WO disclosed
US-20080096950-A1 Compounds Useful In Therapy PFIZER INC. 2008-04-24 — — US disclosed
US-20080085919-A1 1H-Pyrazoles Useful In Therapy BRADLEY PAUL A 2008-04-10 — — US disclosed
US-7309712-B2 1H-pyrazoles useful in therapy PFIZER LIMITED (GB) 2007-12-18 — — US disclosed
WO-2007054770-A2 PYRAZOLE DERIVATIVES AND THEIR MEDICAL USE PFIZER LIMITED (GB) 2007-05-18 — — WO disclosed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 — — US disclosed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 — — 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 (7 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-20080096950-A1 Compounds Useful In Therapy CYP19A1, LPXN, HSD17B11 HTR2A 972/4885PTGS2 71/4885CYP3A4 280/4885
US-20070105909-A1 Compounds useful in therapy GNRHR, OPRK1, CBR3 HTR2A 922/4885PTGS2 1637/4885CYP3A4 1758/4885
US-20230270763-A1 METHOD OF TREATING CORONOVIRUS INFECTIONS WITH CANNABINOIDS AND DERIVATIVES CNR1, CNR2, SARS1 HTR2A 58/4885PTGS2 3049/4885CYP3A4 828/4885
US-20080085919-A1 1H-Pyrazoles Useful In Therapy CBR3, GNRHR, RXFP3 HTR2A 1050/4885PTGS2 1562/4885CYP3A4 897/4885
US-20120316150-A1 AMIDE COMPOUNDS USEFUL IN THERAPY GNRHR, RXFP1, ARG1 HTR2A 3226/4885PTGS2 460/4885CYP3A4 3182/4885
US-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 HTR2A 927/4885PTGS2 489/4885CYP3A4 494/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 HTR2A 1085/4885PTGS2 566/4885CYP3A4 642/4885

“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.