SCHEMBL83588

SCHEMBL83588

C=CC([CH]CCCC)CCCCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 1/20 0.42
OPRM1 P35372 1/20 0.34
LMNA P02545 1/20 0.32
PTGS1 P23219 1/20 0.32
PPARG P37231 1/20 0.32
OPRK1 P41145 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
DNM1 Q05193 2/20 0.31
TRPA1 O75762 1/20 0.31
DDAH1 O94760 1/20 0.31
GAPDH P04406 1/20 0.31
MAPT P10636 1/20 0.31
FDPS P14324 1/20 0.30

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
SCHEMBL8649835 0.96 TSHR (0.44) TSHRALDH1A1OPRM1LMNAPTGS1
SCHEMBL27311941 0.84 TSHR (0.42) TSHRALDH1A1OPRM1LMNAADH1B
SCHEMBL16288370 0.82 TSHR (0.46) TSHRALDH1A1PTGS1PPARGOPRK1
SCHEMBL4023419 0.81 TSHR (0.46) TSHRALDH1A1OPRM1LMNAADH1B
Water SCHEMBL8815837 0.81 TSHR (0.40) TSHRALDH1A1OPRM1LMNAADH1B
SCHEMBL6336658 0.81 TSHR (0.46) TSHRALDH1A1OPRM1LMNAADH1B
SCHEMBL4515246 0.81 TSHR (0.46) TSHRALDH1A1OPRM1LMNAADH1B
SCHEMBL4530979 0.81 TSHR (0.46) TSHRALDH1A1OPRM1LMNAADH1B
SCHEMBL6339666 0.81 TSHR (0.46) TSHRALDH1A1OPRM1LMNAADH1B
SCHEMBL28274267 0.81 TSHR (0.46) TSHRALDH1A1OPRM1LMNAADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116199612-B Porous adsorbent and preparation method and application thereof 荆楚理工学院 2024-06-21 CN claimed
CN-116199612-A Porous adsorbent and preparation method and application thereof 荆楚理工学院 2023-06-02 CN claimed
CN-114907692-A Phthalonitrile resin and preparation method and application thereof 中国科学院化学研究所 2022-08-16 CN claimed
EP-3755687-B1 ADDUCT BETWEEN A PYRROLIC COMPOUND AND AN INORGANIC OXIDE HYDROXIDE, A SUPER-ADDUCT BETWEEN A PYRROLIC COMPOUND, AN INORGANIC OXIDE HYDROXIDE AND A CARBON ALLOTROPE, ELASTOMERIC COMPOSITION COMPRISING THE SUPER-ADDUCT AND METHODS FOR PRODUCING THE SAME PIRELLI (IT) 2022-06-29 EP claimed
US-11091608-B2 Elastomeric composition and vulcanization accelerator used therein PIRELLI TYRE S.P.A. (IT) 2021-08-17 US claimed
EP-3397678-B1 ELASTOMERIC COMPOSITION AND VULCANIZATION ACCELERATOR USED THEREIN PIRELLI (IT) 2021-07-28 EP claimed
US-20210179821-A1 ELASTOMERIC COMPOSITION AND VULCANIZATION ACCELERATOR USED THEREIN PIRELLI TYRE S.P.A. (IT) 2021-06-17 US claimed
US-20210167463-A1 POLYMER-CERAMIC HYBRID SEPARATOR MEMBRANES, PRECURSORS, AND MANUFACTURING PROCESSES CORNELL UNIVERSITY 2021-06-03 US claimed
EP-3538511-B1 ADDUCTS FORMED FROM PRIMARY AMINES, DICARBONYL DERIVATIVES, INORGANIC OXIDE HYDROXYDES AND SP2-HYBRIDIZED CARBON ALLOTROPES PIRELLI (IT) 2021-04-21 EP claimed
US-20200223797-A1 ADDUCTS FORMED FROM PRIMARY AMINES, DICARBONYL DERIVATIVES, INORGANIC OXIDE HYDROXYDES AND SP2-HYBRIDIZED CARBON ALLOTROPES PIRELLI TYRE S.P.A. (IT) 2020-07-16 US claimed
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 EP claimed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US claimed
CN-100379742-C novel tricyclic derivatives as LTD4 antagonists ALMIRALL PRODESFARMA SA (ES) 2008-04-09 CN claimed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 US claimed
EP-1740171-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-01-10 EP claimed
US-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-01 US claimed
CN-1735618-A New tricyclic derivatives as LTD4 antagonists ALMIRALL PRODESFARMA SA (ES) 2006-02-15 CN claimed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 WO claimed
EP-1560834-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2005-08-10 EP claimed
WO-2004043966-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL PRODESFARMA S.A. (ES) 2004-05-27 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LTA4H, LTC4S, LTB4R2 TSHR 2013/4885ALDH1A1 1149/4885OPRM1 544/4885
US-20070208004-A1 Indol-1-yl-acetic acid derivatives IDO1, IDO2, AANAT TSHR 3401/4885ALDH1A1 67/4885OPRM1 2914/4885
US-20200223797-A1 ADDUCTS FORMED FROM PRIMARY AMINES, DICARBONYL DERIVATIVES, INORGANIC OXIDE HYDROXYDES AND SP2-HYBRIDIZED CARBON ALLOTROPES DRD4, DRD2, DAXX TSHR 4387/4885ALDH1A1 1206/4885OPRM1 2285/4885

“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.