SCHEMBL622734

SCHEMBL622734

O=c1c2cc3c(=O)n(CCO)c(=O)c3cc2c(=O)n1CCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
GAA P10253 2/20 0.48
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
SRC P12931 1/20 0.38
PKM P14618 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
TSHR P16473 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
SCHEMBL24439233 0.93 ALDH1A1 (0.48) ALDH1A1GAAPOLBNPSR1CYP1A2
SCHEMBL29674641 0.93 ALDH1A1 (0.48) ALDH1A1GAAPOLBNPSR1CYP1A2
SCHEMBL11148117 0.91 ALDH1A1 (0.52) ALDH1A1GAAPOLBNPSR1CYP1A2
SCHEMBL11149357 0.88 ALDH1A1 (0.44) ALDH1A1GAAPOLBNPSR1CYP1A2
SCHEMBL24440500 0.86 ALDH1A1 (0.50) ALDH1A1GAAPOLBNPSR1CA12
SCHEMBL11151949 0.84 ALDH1A1 (0.53) ALDH1A1GAAPOLBNPSR1CYP1A2
SCHEMBL24440151 0.84 ALDH1A1 (0.48) ALDH1A1GAAPOLBNPSR1CA12
SCHEMBL24439280 0.83 ALDH1A1 (0.41) ALDH1A1GAAPOLBNPSR1CYP1A2
SCHEMBL11325748 0.80 ALDH1A1 (0.57) ALDH1A1GAAPOLBNPSR1CYP1A2
SCHEMBL11267535 0.79 ALDH1A1 (0.46) ALDH1A1GAAPOLBNPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4393046-A PYROMELLITIMIDE MERCK & CO., INC. (US) 1983-07-12 US claimed
US-4212880-A INCREASE FEED EFFICIENCY MERCK & CO., INC. (US) 1980-07-15 US claimed
EP-3455299-B1 COMPOSITIONS COMPRISING A POLYMERIC DYE AND A CYCLODEXTRIN AND USES THEREOF SONY GROUP CORP (JP) 2024-01-17 EP disclosed
EP-4217412-A1 WASTE MITIGATION METHODS AND MATERIALS Finite Research Ltd (GB) 2023-08-02 EP disclosed
WO-2022103281-A1 METHANOGEN INHIBITORS PASTORAL GREENHOUSE GAS RESEARCH LTD (NZ) 2022-05-19 WO disclosed
WO-2022103281-A1 METHANOGEN INHIBITORS PASTORAL GREENHOUSE GAS RESEARCH LTD (NZ) 2022-05-19 WO disclosed
WO-2022023916-A1 WASTE MITIGATION METHODS AND MATERIALS LI, Zhenzhen (CN) 2022-02-03 WO disclosed
US-20210252156-A1 METHODS OF TREATING NAUSEA UTILIZING SEMI-SOLID DELIVERY VEHICLE COMPOSITIONS COMPRISING GRANISETRON HERON THERAPEUTICS INC (US) 2021-08-19 US disclosed
EP-3834817-A1 SEMI-SOLID DELIVERY VEHICLE AND PHARMACEUTICAL COMPOSITIONS Heron Therapeutics, Inc. (US) 2021-06-16 EP disclosed
US-20200405866-A1 METHODS OF TREATING NAUSEA UTILIZING SEMI-SOLID DELIVERY VEHICLE COMPOSITIONS COMPRISING GRANISETRON HERON THERAPEUTICS, INC. 2020-12-31 US disclosed
US-20200392345-A1 ULTRA BRIGHT DIMERIC OR POLYMERIC DYES WITH RIGID SPACING GROUPS SONY CORPORATION (JP) 2020-12-17 US disclosed
EP-1280558-A2 SEMI-SOLID DELIVERY VEHICLE AND PHARMACEUTICAL COMPOSITIONS Advanced Polymer Systems, Inc. (US) 2003-02-05 EP disclosed
US-20020176844-A1 Bioerodible polyorthoesters containing hydrogen bonding groups AP PHARMA, INC. 2002-11-28 US disclosed
US-20020168336-A1 Bioerodible polyorthoesters from dioxolane-based diketene acetals HERON THERAPEUTICS, INC. (F/K/A A.P. PHARMA, INC.) 2002-11-14 US disclosed
US-20020037300-A1 Semi-solid delivery vehicle and pharmaceutical compositions HERON THERAPEUTICS, INC. (F/K/A A.P. PHARMA, INC.) 2002-03-28 US disclosed
WO-2001085139-A2 SEMI-SOLID DELIVERY VEHICLE AND PHARMACEUTICAL COMPOSITIONS ADVANCED POLYMER SYSTEMS, INC. (US) 2001-11-15 WO disclosed
US-4549010-A Bioerodible poly(ortho ester) thermoplastic elastomer from diketene diacetal MERCK & CO., INC. (US) 1985-10-22 US disclosed
US-4393046-A PYROMELLITIMIDE MERCK & CO., INC. (US) 1983-07-12 US disclosed
EP-0010441-B1 THE USE OF SYMMETRICALLY SUBSTITUTED PYROMELLITIC DIIMIDES AS RUMINANT FEED ADDITIVES. COMPOSITIONS CONTAINING THESE FEED ADDITIVES MERCK & CO. INC. (US) 1982-04-21 EP disclosed
US-4212880-A INCREASE FEED EFFICIENCY MERCK & CO., INC. (US) 1980-07-15 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-20020037300-A1 Semi-solid delivery vehicle and pharmaceutical compositions LIPA, CEL, SORD ALDH1A1 4412/4885GAA 943/4885POLB 1943/4885
US-20200405866-A1 METHODS OF TREATING NAUSEA UTILIZING SEMI-SOLID DELIVERY VEHICLE COMPOSITIONS COMPRISING GRANISETRON LPXN, CRH, NTSR1 ALDH1A1 4638/4885GAA 1004/4885POLB 2680/4885
US-20020176844-A1 Bioerodible polyorthoesters containing hydrogen bonding groups PLOD3, HAO2, CD44 ALDH1A1 174/4885GAA 964/4885POLB 2943/4885
US-20210252156-A1 METHODS OF TREATING NAUSEA UTILIZING SEMI-SOLID DELIVERY VEHICLE COMPOSITIONS COMPRISING GRANISETRON LPXN, CRH, NTSR1 ALDH1A1 4638/4885GAA 1004/4885POLB 2680/4885
US-20020168336-A1 Bioerodible polyorthoesters from dioxolane-based diketene acetals HAAO, HAO2, HAO1 ALDH1A1 121/4885GAA 991/4885POLB 3681/4885

“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.