SCHEMBL6002794

SCHEMBL6002794

CCC([O])Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ SLC6A4 P31645 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL6538855 0.83 PPARG (0.44) MTNR1AMTNR1BALDH1A1SLC6A4LTA4H
SCHEMBL6002554 0.79 PPARG (0.46) ALDH1A1SLC6A4LTA4HTDP1PPARG
SCHEMBL18343712 0.78 LTA4H (0.44) ALDH1A1SLC6A4LTA4HMAPK1TDP1
SCHEMBL1109844 0.77 SLC6A4 (0.39) MTNR1AMTNR1BTSHRALDH1A1MAPT
SCHEMBL8386314 0.77 LTA4H (0.43) ALDH1A1SLC6A4LTA4HMAPK1PPARG
SCHEMBL2186074 0.76 CA4 (0.42) MTNR1AMTNR1BTSHRALDH1A1MAPT
SCHEMBL7960172 0.76 TSHR (0.42) MTNR1AMTNR1BTSHRALDH1A1MAPT
SCHEMBL1356899 0.76 PPARG (0.51) PPARGPPARA
SCHEMBL257324 0.74 MTNR1A (0.52) MTNR1AMTNR1BMAPTSLC6A4LTA4H
SCHEMBL5575610 0.74 LTA4H (0.40) MTNR1AMTNR1BTSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 — — US claimed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 — — EP claimed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 — — WO claimed
EP-0274907-B1 ANIONIC END-CAPPED OLIGOMERIC ESTERS AS SOIL RELEASE AGENTS IN DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1992-08-12 — — EP claimed
EP-0274907-A1 Anionic end-capped oligomeric esters as soil release agents in detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1988-07-20 — — EP claimed
US-4721580-A TEREPHTHALATE ESTERS WITHSODIUM SULFONATE END GROUPS THE PROCTER & GAMBLE COMPANY (US) 1988-01-26 — — US claimed
US-4331805-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1982-05-25 — — US claimed
US-4302586-A FLUORESCENT WHITENERS CIBA-GEIGY CORPORATION (US) 1981-11-24 — — US claimed
US-4157443-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1979-06-05 — — US claimed
US-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 — — US disclosed
US-10993938-B2 Lactam compound, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-05-04 — — US disclosed
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF OCEAN UNIVERSITY OF CHINA (CN) 2021-01-14 — — US disclosed
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof OCEAN UNIVERSITY OF CHINA (CN) 2020-01-30 — — US disclosed
EP-3169671-B1 1-(5-(TERT.-BUTYL)ISOXAZOL-3-YL)-3-(4-((PHENYL)ETHYNYL)PHENYL)UREA DERIVATIVES AND RELATED COMPOUNDS AS FLT3 INHIBITORS FOR TREATING CANCER SUNSHINE LAKE PHARMA CO LTD (CN) 2019-08-21 — — EP disclosed
US-4686230-A Picoline derivative useful as gastric acid secretion inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-08-11 — — US disclosed
US-4331805-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1982-05-25 — — US disclosed
US-4302586-A FLUORESCENT WHITENERS CIBA-GEIGY CORPORATION (US) 1981-11-24 — — US disclosed
US-4236003-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1980-11-25 — — US disclosed
US-4203757-A Halophenoxyalkoxy phosphorous-containing sulfides GAF CORPORATION (US) 1980-05-20 — — US disclosed
US-4157443-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1979-06-05 — — 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-20200030312-A1 Lactam Compound, Preparation Method and Use thereof FURIN, PEPD, PIN1 MTNR1A 4188/4885MTNR1B 3821/4885TSHR 4676/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 MTNR1A 4188/4885MTNR1B 3821/4885TSHR 4676/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 MTNR1A 2436/4885MTNR1B 2806/4885TSHR 3737/4885
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF TPMT, PBRM1, PGM2 MTNR1A 1758/4885MTNR1B 2042/4885TSHR 2270/4885

“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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